Search results for: valence
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 101

Search results for: valence

71 Electronic Structure Studies of Mn Doped La₀.₈Bi₀.₂FeO₃ Multiferroic Thin Film Using Near-Edge X-Ray Absorption Fine Structure

Authors: Ghazala Anjum, Farooq Hussain Bhat, Ravi Kumar

Abstract:

Multiferroic materials are vital for new application and memory devices, not only because of the presence of multiple types of domains but also as a result of cross correlation between coexisting forms of magnetic and electrical orders. In spite of wide studies done on multiferroic bulk ceramic materials their realization in thin film form is yet limited due to some crucial problems. During the last few years, special attention has been devoted to synthesis of thin films like of BiFeO₃. As they allow direct integration of the material into the device technology. Therefore owing to the process of exploration of new multiferroic thin films, preparation, and characterization of La₀.₈Bi₀.₂Fe₀.₇Mn₀.₃O₃ (LBFMO3) thin film on LaAlO₃ (LAO) substrate with LaNiO₃ (LNO) being the buffer layer has been done. The fact that all the electrical and magnetic properties are closely related to the electronic structure makes it inevitable to study the electronic structure of system under study. Without the knowledge of this, one may never be sure about the mechanism responsible for different properties exhibited by the thin film. Literature review reveals that studies on change in atomic and the hybridization state in multiferroic samples are still insufficient except few. The technique of x-ray absorption (XAS) has made great strides towards the goal of providing such information. It turns out to be a unique signature to a given material. In this milieu, it is time honoured to have the electronic structure study of the elements present in the LBFMO₃ multiferroic thin film on LAO substrate with buffer layer of LNO synthesized by RF sputtering technique. We report the electronic structure studies of well characterized LBFMO3 multiferroic thin film on LAO substrate with LNO as buffer layer using near-edge X-ray absorption fine structure (NEXAFS). Present exploration has been performed to find out the valence state and crystal field symmetry of ions present in the system. NEXAFS data of O K- edge spectra reveals a slight shift in peak position along with growth in intensities of low energy feature. Studies of Mn L₃,₂- edge spectra indicates the presence of Mn³⁺/Mn⁴⁺ network apart from very small contribution from Mn²⁺ ions in the system that substantiates the magnetic properties exhibited by the thin film. Fe L₃,₂- edge spectra along with spectra of reference compound reveals that Fe ions are present in +3 state. Electronic structure and valence state are found to be in accordance with the magnetic properties exhibited by LBFMO/LNO/LAO thin film.

Keywords: magnetic, multiferroic, NEXAFS, x-ray absorption fine structure, XMCD, x-ray magnetic circular dichroism

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70 Speciation of Iron(III) Oxide Nanoparticles and other Paramagnetic Intermediates during High-Temperature Oxidative Pyrolysis of 1-Methylnaphthalene

Authors: M. Paul Herring, Lavrent Khachatryan, Barry Dellinger

Abstract:

Low Temperature Matrix Isolation - Electron Paramagnetic Resonance (LTMI-EPR) Spectroscopy was utilized to identify the species of iron oxide nanoparticles generated during the oxidative pyrolysis of 1-methylnaphthalene (1-MN). The otherwise gas-phase reactions of 1-MN were impacted by a polypropylenimine tetra-hexacontaamine dendrimer complexed with iron(III) nitrate nonahydrate diluted in air under atmospheric conditions. The EPR fine structure of Fe (III)2O3 nanoparticles clusters, characterized by g-factors of 2.00, 2.28, 3.76 and 4.37 were detected on a cold finger maintained at 77K after accumulation over a multitude of experiments. Additionally, a high valence Fe(IV) paramagnetic intermediate and superoxide anion-radicals, O2•- adsorbed on nanoparticle surfaces in the form of Fe(IV)---O2•- were detected from the quenching area of Zone 1 in the gas-phase.

Keywords: cryogenic trapping, EPFRs, dendrimer, Fe2O3 doped silica, soot

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69 Measuring Emotion Dynamics on Facebook: Associations between Variability in Expressed Emotion and Psychological Functioning

Authors: Elizabeth M. Seabrook, Nikki S. Rickard

Abstract:

Examining time-dependent measures of emotion such as variability, instability, and inertia, provide critical and complementary insights into mental health status. Observing changes in the pattern of emotional expression over time could act as a tool to identify meaningful shifts between psychological well- and ill-being. From a practical standpoint, however, examining emotion dynamics day-to-day is likely to be burdensome and invasive. Utilizing social media data as a facet of lived experience can provide real-world, temporally specific access to emotional expression. Emotional language on social media may provide accurate and sensitive insights into individual and community mental health and well-being, particularly with focus placed on the within-person dynamics of online emotion expression. The objective of the current study was to examine the dynamics of emotional expression on the social network platform Facebook for active users and their relationship with psychological well- and ill-being. It was expected that greater positive and negative emotion variability, instability, and inertia would be associated with poorer psychological well-being and greater depression symptoms. Data were collected using a smartphone app, MoodPrism, which delivered demographic questionnaires, psychological inventories assessing depression symptoms and psychological well-being, and collected the Status Updates of consenting participants. MoodPrism also delivered an experience sampling methodology where participants completed items assessing positive affect, negative affect, and arousal, daily for a 30-day period. The number of positive and negative words in posts was extracted and automatically collated by MoodPrism. The relative proportion of positive and negative words from the total words written in posts was then calculated. Preliminary analyses have been conducted with the data of 9 participants. While these analyses are underpowered due to sample size, they have revealed trends that greater variability in the emotion valence expressed in posts is positively associated with greater depression symptoms (r(9) = .56, p = .12), as is greater instability in emotion valence (r(9) = .58, p = .099). Full data analysis utilizing time-series techniques to explore the Facebook data set will be presented at the conference. Identifying the features of emotion dynamics (variability, instability, inertia) that are relevant to mental health in social media emotional expression is a fundamental step in creating automated screening tools for mental health that are temporally sensitive, unobtrusive, and accurate. The current findings show how monitoring basic social network characteristics over time can provide greater depth in predicting risk and changes in depression and positive well-being.

Keywords: emotion, experience sampling methods, mental health, social media

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68 The influence of Personality Traits on Appearance Evaluation among Chinese Teenagers

Authors: Yichen Liu, Gexing Ding

Abstract:

Past research seeking to understand our ability to update social impressions in light of behavioral inconsistencies has shown that morality is more dominant in impression formation and updating than ability (e.g. friendly vs. efficient). In this study, we aim to test whether this pattern holds among the teenage population in an eastern society. Our findings revealed that competency and moral judgments go beyond impression formation in social cognition by influencing physical attractiveness evaluation. Moreover, our results confirmed that moral description has a leading role over the other basic dimensions of human social cognition (i.e., competency) in driving the impression formation process in an eastern society. However, competency information was generally perceived as more favorable than moral information, regardless of valence. Further investigation is needed to understand the mechanism of such effects.

Keywords: impression formation, social cognition, moral judgment, cross-cultural

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67 How Can Food Retailing Benefit from Neuromarketing Research: The Influence of Traditional and Innovative Tools of In-Store Communication on Consumer Reactions

Authors: Jakub Berčík, Elena Horská, Ľudmila Nagyová

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Nowadays, the point of sale remains one of the few channels of communication which is not oversaturated yet and has great potential for the future. The fact that purchasing decisions are significantly affected by emotions, while up to 75 % of them are implemented at the point of sale, only demonstrates its importance. The share of impulsive purchases is about 60-75 %, depending on the particular product category. Nevertheless, habits predetermine the content of the shopping cart above all and hence in this regard the role of in-store communication is to disrupt the routine and compel the customer to try something new. This is the reason why it is essential to know how to work with this relatively young branch of marketing communication as efficiently as possible. New global trend in this discipline is evaluating the effectiveness of particular tools in the in-store communication. To increase the efficiency it is necessary to become familiar with the factors affecting the customer both consciously and unconsciously, and that is a task for neuromarketing and sensory marketing. It is generally known that the customer remembers the negative experience much longer and more intensely than the positive ones, therefore it is essential for marketers to avoid this negative experience. The final effect of POP (Point of Purchase) or POS (Point of Sale) tools is conditional not only on their quality and design, but also on the location at the point of sale which contributes to the overall positive atmosphere in the store. Therefore, in-store advertising is increasingly in the center of attention and companies are willing to spend even a third of their marketing communication budget on it. The paper deals with a comprehensive, interdisciplinary research of the impact of traditional as well as innovative tools of in-store communication on the attention and emotional state (valence and arousal) of consumers on the food market. The research integrates measurements with eye camera (Eye tracker) and electroencephalograph (EEG) in real grocery stores as well as in laboratory conditions with the purpose of recognizing attention and emotional response among respondents under the influence of selected tools of in-store communication. The object of the research includes traditional (e.g. wobblers, stoppers, floor graphics) and innovative (e.g. displays, wobblers with LED elements, interactive floor graphics) tools of in-store communication in the fresh unpackaged food segment. By using a mobile 16-channel electroencephalograph (EEG equipment) from the company EPOC, a mobile eye camera (Eye tracker) from the company Tobii and a stationary eye camera (Eye tracker) from the company Gazepoint, we observe the attention and emotional state (valence and arousal) to reveal true consumer preferences using traditional and new unusual communication tools at the point of sale of the selected foodstuffs. The paper concludes with suggesting possibilities for rational, effective and energy-efficient combination of in-store communication tools, by which the retailer can accomplish not only captivating and attractive presentation of displayed goods, but ultimately also an increase in retail sales of the store.

Keywords: electroencephalograph (EEG), emotion, eye tracker, in-store communication

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66 Electronic and Optical Properties of Li₂S Antifluorite Material

Authors: Brahim Bahloul, Khatir Babesse, Azzedine Dkhira, Yacine Bahloul, Dalila Hammoutene

Abstract:

In this paper, we investigate with ab initio calculations some structural and optoelectronic properties of Li₂S compound. The structural and electronic properties of the Li₂S antifluorite structure have been studied by first-principles calculations within the density functional theory (DFT), whereas the optical properties have been obtained using empirical relationships such as the modified Moss relation. Our calculated lattice parameters are in good agreement with the experimental data and other theoretical calculations. The electronic band structures and density of states were obtained. The anti-fluorite Li₂S present an indirect band gap of 3.388 eV at equilibrium. The top of the valence bands reflects the p electronic character for both structures. The calculated energy gaps and optical constants are in good agreement with experimental measurements.

Keywords: Ab initio calculations, antifluorite, electronic properties, optical properties

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65 The Role of Context in Interpreting Emotional Body Language in Robots

Authors: Jekaterina Novikova, Leon Watts

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In the emerging world of human-robot interaction, people and robots will interact socially in real-world situations. This paper presents the results of an experimental study probing the interaction between situational context and emotional body language in robots. 34 people rated video clips of robots performing expressive behaviours in different situational contexts both for emotional expressivity on Valence-Arousal-Dominance dimensions and by selecting a specific emotional term from a list of suggestions. Results showed that a contextual information enhanced a recognition of emotional body language of a robot, although it did not override emotional signals provided by robot expressions. Results are discussed in terms of design guidelines on how an emotional body language of a robot can be used by roboticists developing social robots.

Keywords: social robotics, non-verbal communication, situational context, artificial emotions, body language

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64 Calm, Confusing and Chaotic: Investigating Humanness through Sentiment Analysis of Abstract Artworks

Authors: Enya Autumn Trenholm-Jensen, Hjalte Hviid Mikkelsen

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This study was done in the pursuit of nuancing the discussion surrounding what it means to be human in a time of unparalleled technological development. Subjectivity was deemed to be an accessible example of humanity to study, and art was a fitting medium through which to probe subjectivity. Upon careful theoretical consideration, abstract art was found to fit the parameters of the study with the added bonus of being, as of yet, uninterpretable from an AI perspective. It was hypothesised that dissimilar appraisals of the art stimuli would be found through sentiment and terminology. Opinion data was collected through survey responses and analysed using Valence Aware Dictionary for sEntiment Reasoning (VADER) sentiment analysis. The results reflected the enigmatic nature of subjectivity through erratic ratings of the art stimuli. However, significant themes were found in the terminology used in the responses. The implications of the findings are discussed in relation to the uniqueness, or lack thereof, of human subjectivity, and directions for future research are provided.

Keywords: abstract art, artificial intelligence, cognition, sentiment, subjectivity

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63 Structural and Electronic Properties of Cd0.75V0.25S Alloy

Authors: H. Baltache, M. El Amine. Monir, R. Khenata, D. Rached, T. Seddik

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The first principles calculations based on the density functional theory (DFT) by using the full-potential linearized augmented plane wave (FP-LAPW) method within the generalized gradient approximation (GGA) in order to investigate the structural and electronic properties of Cd1-xVxS alloy at x = 0.25 in zincblende structure. For the structural properties, we have calculated the equilibrium lattice parameters, such as lattice constant, bulk modulus and first pressure derivatives of the bulk modulus. From the electronic structure, we obtain that Cd0.75V0.25S alloy is nearly half-metallic. The analysis of the density of states (DOS) curves allow to evaluate the spin-exchange splitting energies Δx(d) and Δx(pd) that are generated by V-3d states, where the effective potential for spin-down case is attractive than for spin-up case. Calculations of the exchange constants N0α (valence band) and N0β (conduction band) are served to describe the magnetic behavior of the compounds.

Keywords: first-principles calculations, structural properties, electronic properties

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62 Physical Properties of Uranium Dinitride UN2 by Using Density Functional Theory (DFT and DFT+U)

Authors: T. Zergoug, S. E. H. Abaidia, A. Nedjar, M. Y. Mokeddem

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Physical properties of uranium di-nitride (UN2) were investigated in detail using first principles calculations based on density functional theory. To treat the strong correlation effects caused by 5f Uranium valence electrons, on-site Coulomb interaction correction via the Hubbard-like term, U (DFT+U) was employed. The UN2 structural, mechanical and thermodynamic properties were calculated within DFT and Various U of DFT+U approach. The Perdew–Burke–Ernzerhof (PBE.5.2) version of the generalized gradient approximation (GGA) is used to describe the exchange-correlation with the projector-augmented wave (PAW) pseudo potentials. A comparative study shows that results are improved by using the Hubbard formalism for a certain U value correction like the structural parameter. For some physical properties the variation versus Hubbard U is strong like Young modulus but for others it is weakly noticeable such as the density of state (DOS) or bulk modulus. We noticed also that up from U=7.5 eV, elastic results become not conform to the cubic cell elastic criteria since the C44 values turn out to be negative.

Keywords: uranium diNitride, UN2, DFT+U, elastic properties

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61 Psychophysiological Synchronization between the Manager and the Subordinate during a Performance Review Discussion

Authors: Mikko Salminen, Niklas Ravaja

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Previous studies have shown that emotional intelligence (EI) has an important role in leadership and social interaction. On the other hand, physiological synchronization between two interacting participants has been related to, for example, intensity of the interaction, and interestingly also to empathy. It is suggested that the amount of covariation in physiological signals between the two interacting persons would also be related to how the discussion is perceived subjectively. To study the interrelations between physiological synchronization, emotional intelligence, and subjective perception of the interaction, performance review discussions between real manager – subordinate dyads were studied using psychophysiological measurements and self-reports. The participants consisted of 40 managers, of which 24 were female, and 78 of their subordinates, of which 45 were female. The participants worked in various fields, for example banking, education, and engineering. The managers had a normal performance review discussion with two subordinates, except two managers who, due to scheduling issues, had discussion with only one subordinate. The managers were on average 44.5 years old, and the subordinates on average 45.5 years old. Written consent, in accordance with the Declaration of Helsinki, was obtained from all the participants. After the discussion, the participants filled a questionnaire assessing their emotions during the discussion. This included a self-assessment manikin (SAM) scale for the emotional valence during the discussion, with a 9-point graphical scale representing a manikin whose facial expressions ranged from smiling and happy to frowning and unhappy. In addition, the managers filled EI360, a 37-item self-report trait emotional intelligence questionnaire. The psychophysiological activity of the participants was recorded using two Varioport-B portable recording devices. Cardiac activity (ECG, electrocardiogram) was measured with two electrodes placed on the torso. Inter-beat interval (IBI, time between two successive heart beats) was calculated from the ECG signals. The facial muscle activation (EMG, electromyography) was recorded on three sites of the left side of the face: zygomaticus major (cheek muscle), orbicularis oculi (periocular muscle), and corrugator supercilii (frowning muscle). The facial-EMG signals were rectified and smoothed, and cross-coherences were calculated between members of each dyad, for all the three EMG signals, for the baseline and discussion periods. The values were natural-log transformed to normalize the distributions. Higher cross-coherence during the discussion between the manager’s and the subordinate’s zygomatic muscles was related to more positive valence self-reported emotions, F(1; 66,137) = 7,051; p=0,01. Thus, synchronized cheek muscle activation, either due to synchronous smiling or talking, was related to more positive perception of the discussion. In addition, higher IBI synchronization between the manager and the subordinate during the discussion was related to the manager’s higher self-reported emotional intelligence, F(1; 27,981)=4,58; p=0,041. That is, the EI was related to synchronous cardiac activity and possibly to similar physiological arousal levels. The results imply that the psychophysiological synchronization could be a potentially useful index in the study of social interaction and a valuable tool in the coaching of leadership skills in organizational contexts.

Keywords: emotional intelligence, leadership, psychophysiology, social interaction, synchronization

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60 Generating Music with More Refined Emotions

Authors: Shao-Di Feng, Von-Wun Soo

Abstract:

To generate symbolic music with specific emotions is a challenging task due to symbolic music datasets that have emotion labels are scarce and incomplete. This research aims to generate more refined emotions based on the training datasets that are only labeled with four quadrants in Russel’s 2D emotion model. We focus on the theory of Music Fadernet and map arousal and valence to the low-level attributes, and build a symbolic music generation model by combining transformer and GM-VAE. We adopt an in-attention mechanism for the model and improve it by allowing modulation by conditional information. And we show the music generation model could control the generation of music according to the emotions specified by users in terms of high-level linguistic expression and by manipulating their corresponding low-level musical attributes. Finally, we evaluate the model performance using a pre-trained emotion classifier against a pop piano midi dataset called EMOPIA, and by subjective listening evaluation, we demonstrate that the model could generate music with more refined emotions correctly.

Keywords: music generation, music emotion controlling, deep learning, semi-supervised learning

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59 Culturally Relevant Education Challenges and Threats in the US Secondary Classroom

Authors: Owen Cegielski, Kristi Maida, Danny Morales, Sylvia L. Mendez

Abstract:

This study explores the challenges and threats US secondary educators experience in incorporating culturally relevant education (CRE) practices in their classrooms. CRE is a social justice pedagogical practice used to connect student’s cultural references to academic skills and content, to promote critical reflection, to facilitate cultural competence, and to critique discourses of power and oppression. Empirical evidence on CRE demonstrates positive student educational outcomes in terms of achievement, engagement, and motivation. Additionally, due to the direct focus on uplifting diverse cultures through the curriculum, students experience greater feelings of belonging, increased interest in the subject matter, and stronger racial/ethnic identities. When these teaching practices are in place, educators develop deeper relationships with their students and appreciate the multitude of gifts they (and their families) bring to the classroom environment. Yet, educators regularly report being unprepared to incorporate CRE in their daily teaching practice and identify substantive gaps in their knowledge and skills in this area. Often, they were not exposed to CRE in their educator preparation program, nor do they receive adequate support through school- or district-wide professional development programming. Through a descriptive phenomenological research design, 20 interviews were conducted with a diverse set of secondary school educators to explore the challenges and threats they experience in incorporating CRE practices in their classrooms. The guiding research question for this study is: What are the challenges and threats US secondary educators face when seeking to incorporate CRE practices in their classrooms? Interviews were grounded by the theory of challenge and threat states, which highlights the ways in which challenges and threats are appraised and how resources factor into emotional valence and perception, as well as the potential to meet the task at hand. Descriptive phenomenological data analysis strategies were utilized to develop an essential structure of the educators’ views of challenges and threats in regard to incorporating CRE practices in their secondary classrooms. The attitude of the phenomenological reduction method was adopted, and the data were analyzed through five steps: sense of the whole, meaning units, transformation, structure, and essential structure. The essential structure that emerged was while secondary educators display genuine interest in learning how to successfully incorporate CRE practices, they perceive it to be a challenge (and not a threat) due to lack of exposure which diminishes educator capacity, comfort, and confidence in employing CRE practices. These findings reveal the value of attending to emotional valence and perception of CRE in promoting this social justice pedagogical practice. Findings also reveal the importance of appropriately resourcing educators with CRE support to ensure they develop and utilize this practice.

Keywords: culturally relevant education, descriptive phenomenology, social justice practice, US secondary education

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58 OPEN-EmoRec-II-A Multimodal Corpus of Human-Computer Interaction

Authors: Stefanie Rukavina, Sascha Gruss, Steffen Walter, Holger Hoffmann, Harald C. Traue

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OPEN-EmoRecII is an open multimodal corpus with experimentally induced emotions. In the first half of the experiment, emotions were induced with standardized picture material and in the second half during a human-computer interaction (HCI), realized with a wizard-of-oz design. The induced emotions are based on the dimensional theory of emotions (valence, arousal and dominance). These emotional sequences - recorded with multimodal data (mimic reactions, speech, audio and physiological reactions) during a naturalistic-like HCI-environment one can improve classification methods on a multimodal level. This database is the result of an HCI-experiment, for which 30 subjects in total agreed to a publication of their data including the video material for research purposes. The now available open corpus contains sensory signal of: video, audio, physiology (SCL, respiration, BVP, EMG Corrugator supercilii, EMG Zygomaticus Major) and mimic annotations.

Keywords: open multimodal emotion corpus, annotated labels, intelligent interaction

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57 Spin-Polarized Investigation of Ferromagnetism on Magnetic Semiconductors MnxCa1-xS in the Rock-salt Phase

Authors: B. Ghebouli, M. A. Ghebouli, H. Choutri, M. Fatmi, L. Louail

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The structural, elastic, electronic and magnetic properties of the diluted magnetic semiconductors MnxCa1-xS in the rock-salt phase have been investigated using first-principles calculations. Features such as lattice constant, bulk modulus, elastic constants, spin-polarized band structure, total and local densities of states have been computed. We predict the values of the exchange constants and the band edge spin splitting of the valence and conduction bands. The hybridization between S-3p and Mn-3d produces small local magnetic moment on the nonmagnetic Ca and S sites. The ferromagnetism is induced due to the exchange splitting of S-3p and Mn-3d hybridized bands. The total magnetic moment per Mn of MnxCa1-xS is 4.4µB and is independent of the Mn concentration. The unfilled Mn -3d levels reduce the local magnetic moment of Mn from its free space charge value of 5µB to 4.4µB due to 3p–3d hybridization.

Keywords: semiconductors, Ab initio calculations, band-structure, magnetic properties

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56 Synthesis, Microstructure and Photoluminescence Properties of Yttrium Orthovanadates: Influences of Silica Nano-Particles and Nano-Layers

Authors: Seyed Mahdi Rafiaei

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In this investigation, firstly Eu3+ doped YVO4 phosphor was synthesized using solid-state method. Then silica was coated on the surface of particles via sol-gel method. To study the influence of SiO2 addition on microstructure and photoluminescence characteristics of YVO4:4% Eu3+ phosphor materials, we employed X-ray Diffraction (XRD), Field Emission Scanning Electron Microscope (FESEM), High-Resolution Transmitted Electron Microscope (HRTEM), Focused Ion Beam (FIB), Brunauer Emmett Teller (BET), Inductively coupled plasma (ICP), Electron Spin Resonance (ESR) and Photoluminescence (PL) equipments. The XPS characterization confirmed the formation of Y–O–Si and V-O-Si bondings between YVO4:Eu3+ phosphor particle and SiO2 coating. In addition, it was found that although the amounts of added SiO2 were not remarkable, but it resulted in enhancement of emission intensity of the phosphors. Finally by employing ESR analysis, it was shown that surface oxygen vacancies, result in reduction of V5+ to the lower valence state of V4+.

Keywords: solid state, sol-gel, silica, coating, photoluminescence

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55 Preparation and Visible Light Photoactivity of N-Doped ZnO/ZnS Photocatalysts

Authors: Nuray Güy, Mahmut Özacar

Abstract:

Semiconductor nanoparticles such as TiO₂ and ZnO as photocatalysts are very efficient catalysts for wastewater treatment by the chemical utilization of light energy, which is capable of converting the toxic and nonbiodegradable organic compounds into carbon dioxide and mineral acids. ZnO semiconductor has a wide bandgap energy of 3.37 eV and a relatively large exciton binding Energy (60 meV), thus can absorb only UV light with the wavelength equal to or less than 385 nm. It exhibits low efficiency under visible light illumination due to its wide band gap energy. In order to improve photocatalytic activity of ZnO under visible light, band gap of ZnO may be narrowed by doping such as N, C, S nonmetal ions and coupled two separate semiconductors possessing different energy levels for their corresponding conduction and valence bands. ZnS has a wider band gap (Eg=3.7 eV) than ZnO and generates electron–hole pairs by photoexcitation rapidly. In the present work, N doped ZnO/ZnS nano photocatalysts with visible-light response were synthesized by microwave-hydrothermal method using thiourea as N source. The prepared photocatalysts were characterized by X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM) and UV–visible (UV–vis). The photocatalytic activities samples and undoped ZnO have been studied for the degradation of dye, and have also been compared with together.

Keywords: photocatalyst, synthesis, visible light, ZnO/ZnS

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54 An Extended X-Ray Absorption Fine Structure Study of CoTi Thin Films

Authors: Jose Alberto Duarte Moller, Cynthia Deisy Gomez Esparza

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The cobalt-titanium system was grown as thin films in an INTERCOVAMEX V3 sputtering system, equipped with four magnetrons assisted by DC pulsed and direct DC. A polished highly oriented (400) silicon wafer was used as substrate and the growing temperature was 500 oC. Xray Absorption Spectroscopy experiments were carried out in the SSRL in the 4-3 beam line. The Extenden X-Ray Absorption Fine Structure spectra have been numerically processed by WINXAS software from the background subtraction until the normalization and FFT adjustment. Analyzing the absorption spectra of cobalt in the CoTi2 phase we can appreciate that they agree in energy with the reference spectra that corresponds to the CoO, which indicates that the valence where upon working is Co2+. The RDF experimental results were then compared with those RDF´s generated theoretically by using FEFF software, from a model compound of CoTi2 phase obtained by XRD. The fitting procedure is a highly iterative process. Fits are also checked in R-space using both the real and imaginary parts of Fourier transform. Finally, the presence of overlapping coordination shells and the correctness of the assumption about the nature of the coordinating atom were checked.

Keywords: XAS, EXAFS, FEFF, CoTi

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53 The Mediating Effect of Individual Readiness for Change in the Relationship between Organisational Culture and Individual Commitment to Change

Authors: Mohamed Haffar, Lois Farquharson, Gbola Gbadamosi, Wafi Al-Karaghouli, Ramadane Djbarni

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A few recent research studies and mostly conceptual in nature have paid attention to the relationship between organizational culture (OC), individual readiness for change (IRFC) and individual affective commitment to change (IACC). Surprisingly enough, there is a lack of empirical studies investigating the influence of all four OC types on IRFC and IACC. Moreover, there is a very limited research investigating the mediating role of individual readiness for change between OC types and individual affective commitment to change. Therefore, this study is proposed to fill this gap by providing empirical evidence leading to advancement in the understanding of direct and indirect influences of OC on individual affective commitment to change. To achieve this, a questionnaire based survey was developed and self-administered to 226 middle managers in Algerian manufacturing organizations (AMOs). The results of this study indicated that group culture and adhocracy culture positively affect the IACC. Furthermore, the findings of this study show support for the mediating roles of self-efficacy and personally valence in the relationship between OC and IACC.

Keywords: individual readiness for change, individual commitment to change, organisational culture, manufacturing organisations

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52 Enhanced Properties of Plasma-Induced Two-Dimensional Ga₂O₃/GaS Heterostructures on Liquid Alloy Substrate

Authors: S. Zhuiykov, M. Karbalaei Akbari

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Ultra-low-level incorporation of trace impurities and dopants into two-dimensional (2D) semiconductors is a challenging step towards the development of functional electronic instruments based on 2D materials. Herein, the incorporation of sulphur atoms into 2D Ga2O3 surface oxide film of eutectic gallium-indium alloy (EGaIn) is achieved through plasma-enhanced metal-catalyst dissociation of H2S gas on EGaIn substrate. This process led to the growth of GaS crystalline nanodomains inside amorphous 2D Ga2O3 sublayer films. Consequently, 2D lateral heterophase was developed between the amorphous Ga2O3 and crystalline GaS nanodomains. The materials characterization revealed the alteration of photoluminescence (PL) characteristics and change of valence band maximum (VBM) of functionalized 2D films. The comprehensive studies by conductive atomic force microscopy (c-AFM) showed considerable enhancement of conductivity of 2D Ga2O3/GaS materials (300 times improvement) compared with that of 2D Ga2O3 film. This technique has a great potential for the fabrication of 2D metal oxide devices with tuneable electronic characteristics similar to nano junction memristors and transistors.

Keywords: 2D semiconductors, Ga₂O₃, GaS, plasma-induced functionalization

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51 First-Principles Study of Inter-Cage Interactions in Inorganic Molecular Crystals

Authors: Abdul Majid, Alia Jabeen, Nimra Zulifqar

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The inorganic molecular crystal (IMCs) due to their unusual structure has grabbed a lot of attention due to anisotropy in crystal structure. The IMCs consist of the molecular structures joined together via weak forces. Therefore, a difference between the bonding between the inter-cage and intra-cage interactions exists. To look closely at the bonding and interactions, we investigated interactions between two cages of Sb2O3 structure. The interactions were characterized via Extended Transition State-Natural Orbital for Chemical Valence-method (ETS-NOCV), Natural Bond Orbitals (NBO) and Quantum Theory of Atoms in Molecules (QTAIM). The results revealed strong intra-cage covalent bonding while weak van der Waals (vdWs) interactions along inter-cages exits. This structure cannot be termed as layered material although they have anisotropy in bonding and presence of weak vdWs interactions but its bulk is termed as inorganic layered clusters. This is due to the fact that the free standing sheet/films with these materials are not possible. This type of structures may be the most feasible to be used for the system to deal with high pressures and stress bearing materials.

Keywords: inorganic molecular crystals, density functional theory, cages, interactions

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50 Anti-Site Disorder Effects on the Magnetic Properties of Sm₂NiMnO₆ Thin Films

Authors: Geetanjali Singh, R. J. Choudhary, Anjana Dogra

Abstract:

Here we report the effects of anti-site disorder, present in the sample, on the magnetic properties of Sm₂NiMnO₆ (SNMO) thin films. To our best knowledge, there are no studies available on the thin films of SNMO. Thin films were grown using pulsed laser deposition technique on SrTiO₃ (STO) substrate under oxygen pressure of 800 mTorr. X-ray diffraction (XRD) profiles show that the film grown is epitaxial. Field cooled (FC) and zero field cooled (ZFC) magnetization curve increase as we decrease the temperature till ~135K. A broad dip was observed in both the curves below this temperature which is more dominating in ZFC curve. An additional sharp cusplike shape was observed at low temperature (~20 K) which is due to the re-entrant spin-glass like properties present in the sample. Super-exchange interaction between Ni²⁺-O-Mn⁴⁺ is attributed to the FM ordering in these samples. The spin-glass feature is due to anti-site disorder within the homogeneous sample which was stated to be due to the mixed valence states Ni³⁺ and Mn³⁺ present in the sample. Anti-site disorder was found to play very crucial role in different magnetic phases of the sample.

Keywords: double perovskite, pulsed laser deposition, spin-glass, magnetization

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49 The Influence of Positive and Negative Affect on Perception and Judgement

Authors: Annamarija Paula

Abstract:

Modern psychology is divided into three distinct domains: cognition, affect, and conation. Historically, psychology devalued the importance of studying the effect in order to explain human behavior as it supposedly lacked both rational thought and a scientific foundation. As a result, affect remained the least studied domain for years to come. However, the last 30 years have marked a significant change in perspective, claiming that not only is affect highly adaptive, but it also plays a crucial role in cognitive processes. Affective states have a crucial impact on human behavior, which led to fundamental advances in the study of affective states on perception and judgment. Positive affect and negative affect are distinct entities and have different effects on social information processing. In addition, emotions of the same valence are manifested in distinct and unique physiological reactions indicating that not all forms of positive or negative affect are the same or serve the same purpose. The effect plays a vital role in perception and judgments, which impacts the validity and reliability of memory retrieval. The research paper analyzes key findings from the past three decades of observational and empirical research on affective states and cognition. The paper also addresses the limitations connected to the findings and proposes suggestions for possible future research.

Keywords: memory, affect, perception, judgement, mood congruency effect

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48 Experimental Chevreul’s Salt Production Methods on Copper Recovery

Authors: Turan Çalban, Oral Laçin, Abdüsselam Kurtbaş

Abstract:

The experimental production methods Chevreul’s salt being a intermediate stage product for copper recovery were investigated by dealing with the articles written on this topic. Chevreul’s salt, Cu2SO3.CuSO3.2H2O, being a mixed valence copper sulphite compound has been obtained by using different methods and reagents. Chevreul’s salt has a intense brick-red color. It is a highly stable and expensive salt. The production of Chevreul’s salt plays a key role in hiydrometallurgy. In recent years, researchs on this compound have been intensified. Silva et al. reported that this salt is thermally stable up to 200oC. Çolak et al. precipitated the Chevreul’s salt by using ammonia and sulphur dioxide. Çalban et al. obtained at the optimum conditions by passing SO2 from leach solutions with NH3-(NH4)2SO4. Yeşiryurt and Çalban investigated the optimum precipitation conditions of Chevreul’s salt from synthetic CuSO4 solutions including Na2SO3. Çalban et al. achieved the precipitation of Chevreul’s salt at the optimum conditions by passing SO2 from synthetic CuSO4 solutions. Çalban et al. examined the precipitation conditions of Chevreul’s salt using (NH4)2SO3 from synthetic aqueous CuSO4 solutions. In light of these studies, it can be said that Chevreul’s salt can be produced practically from both a leach solutions including copper and synthetic CuSO4 solutions.

Keywords: Chevreul’s salt, ammonia, copper sulpfite, sodium sülfite, optimum conditions

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47 Theoretical Study of Structural and Electronic Properties of Matlockite CaFX (X = I and Br) Compounds

Authors: Meriem Harmel, Houari Khachai

Abstract:

The full potential linearized augmented plane wave (FP-LAPW)method within density functional theory is applied to study, for the first time, the structural and electronic properties of CaFI and to compare them with CaFCl and CaFBr, all compounds belonging to the tetragonal PbFCl structure group with space group P4/nmm. We used the generalized gradient approximation (GGA) based on exchange–correlation energy optimization to calculate the total energy and also the Engel– Vosko GGA formalism, which optimizes the corresponding potential for band structure calculations. Ground state properties such as the lattice parameters, c/a ratio, bulk modulus, pressure derivative of the bulk modulus and cohesive energy are calculated, as well as the optimized internal parameters, by relaxing the atomic position in the force directions. The variations of the calculated interatomic distances and angles between different atomic bonds are discussed. CaFCl was found to have a direct band gap at whereas CaFBr and BaFI have indirect band gaps. From these computed bands, all three materials are found to be insulators having band gaps of 6.28, 5.46, and 4.50 eV, respectively. We also calculated the valence charge density and the total density of states at equilibrium volume for each compound. The results are in reasonable agreement with the available experimental data.

Keywords: DFT, matlockite, structural properties, electronic structure

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46 A Psychophysiological Evaluation of an Effective Recognition Technique Using Interactive Dynamic Virtual Environments

Authors: Mohammadhossein Moghimi, Robert Stone, Pia Rotshtein

Abstract:

Recording psychological and physiological correlates of human performance within virtual environments and interpreting their impacts on human engagement, ‘immersion’ and related emotional or ‘effective’ states is both academically and technologically challenging. By exposing participants to an effective, real-time (game-like) virtual environment, designed and evaluated in an earlier study, a psychophysiological database containing the EEG, GSR and Heart Rate of 30 male and female gamers, exposed to 10 games, was constructed. Some 174 features were subsequently identified and extracted from a number of windows, with 28 different timing lengths (e.g. 2, 3, 5, etc. seconds). After reducing the number of features to 30, using a feature selection technique, K-Nearest Neighbour (KNN) and Support Vector Machine (SVM) methods were subsequently employed for the classification process. The classifiers categorised the psychophysiological database into four effective clusters (defined based on a 3-dimensional space – valence, arousal and dominance) and eight emotion labels (relaxed, content, happy, excited, angry, afraid, sad, and bored). The KNN and SVM classifiers achieved average cross-validation accuracies of 97.01% (±1.3%) and 92.84% (±3.67%), respectively. However, no significant differences were found in the classification process based on effective clusters or emotion labels.

Keywords: virtual reality, effective computing, effective VR, emotion-based effective physiological database

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45 Evaluating Language Loss Effect on Autobiographical Memory by Examining Memory Phenomenology in Bilingual Speakers

Authors: Anastasia Sorokina

Abstract:

Graduate language loss or attrition has been well documented in individuals who migrate and become emersed in a different language environment. This phenomenon of first language (L1) attrition is an example of non-pathological (not due to trauma) and can manifest itself in frequent pauses, search for words, or grammatical errors. While the widely experienced loss of one’s first language might seem harmless, there is convincing evidence from the disciplines of Developmental Psychology, Bilingual Studies, and even Psychotherapy that language plays a crucial role in the memory of self. In fact, we remember, store, and share personal memories with the help of language. Dual-Coding Theory suggests that language memory code deterioration could lead to forgetting. Yet, no one has investigated a possible connection between language loss and memory. The present study aims to address this research gap by examining a corpus of 1,495 memories of Russian-English bilinguals who are on a continuum of L1 (first language) attrition. Since phenomenological properties capture how well a memory is remembered, the following descriptors were selected - vividness, ease of recall, emotional valence, personal significance, and confidence in the event. A series of linear regression statistical analyses were run to examine the possible negative effects of L1 attrition on autobiographical memory. The results revealed that L1 attrition might compromise perceived vividness and confidence in the event, which is indicative of memory deterioration. These findings suggest the importance of heritage language maintenance in immigrant communities who might be forced to assimilate as language loss might negatively affect the memory of self.

Keywords: L1 attrition, autobiographical memory, language loss, memory phenomenology, dual coding

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44 Polyethylenimine-Ethoxylated Dual Interfacial Layers for High-Efficient Quantum Dot Light-Emitting Diodes

Authors: Woosuk Lee

Abstract:

We controlled the electron injection rate in inverted quantum dot light-emitting diode (QLED) by inserting PEIE layer between ZnO electron transport layer(ETL) and quantum dots(QDs) layer and successfully demonstrated high efficiency of QLEDs. The inverted QLED has the layer structure of ITO(cathode)/ ZnO NPs/PEIE/QDs/PEIE/P-TPD/MoO3/Al(anode). The PEIE between poly-TPD hole transport layer (HTL) and quantum dot emitting layer protects QD EML during HTL coating process and improves the surface morphology. In addition, the hole injection barrier is reduced by upshifting the valence band maximum (VBM) of QDs. An additional layer of PEIE was introduced between ZnO and QD to balance charge within QD emissive layer in device, which serves as an effective electron blocking layer without changing device operating condition such as turn-on voltage and emissive spectra. As a result, the optimized QLED with 5nm PEIE shows a ~36% improved current efficiency and external quantum efficiency (EQE) compared to the QLED without PEIE.(maximum current efficiency, and EQE are achieved 70cd/A and 17.3%, respectively). In particular, the maximum brightness of the optimized QLED dramatically improved by a factor of 2.3 relative to the QLED without PEIE. The main reasons for these QLED performance improvement are due to the suppressing the leakage current across the device and well confined exciton by inserting PEIE layers.

Keywords: quantum dot light-emitting diodes, interfacial layer, charge-injection balance, suppressing QD charging

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43 Kinetic Study of C₃N₄/CuWO₄: Photocatalyst towards Solar Light Inactivation of Mixed Populated Bacteria

Authors: Rimzhim Gupta, Bhanupriya Boruah, Jayant M. Modak, Giridhar Madras

Abstract:

Microbial contamination is one of the major concerns in the field of water treatment. AOP (advanced oxidation processes) is well-established method to resolve the issue of removal of contaminants in water. A Z-scheme composite g-C₃N₄/CuWO₄ was synthesized by sol-gel method for the photocatalytic inactivation of a mixed population of Gram-positive bacteria (S. aureus) and Gram-negative bacteria (E. coli). The photoinactivation was observed for different types of bacteria in the same medium together and individually in the absence of the nutrients. The lattice structures and phase purities were determined by X-ray diffraction. For morphological and topographical features, scanning electron microscopy and transmission electron microscopy analyses were carried out. The band edges of the semiconductor (valence band and conduction band) were determined by ultraviolet photoelectron microscopy. The lifetime of the charge carriers and band gap of the semiconductors were determined by time resolved florescence spectroscopy and diffused reflectance spectroscopy, respectively. The effect of weight ratio of C₃N₄ and CuWO₄ was observed by performing photocatalytic experiments. To investigate the exact mechanism and major responsible radicals for photocatalysis, scavenger studies were performed. The rate constants and order of the inactivation reactions were obtained by power law kinetics. For E. coli and S. aureus, the order of reaction and rate constants are 1.15, 0.9 and 1.39 ± 0.03 (CFU/mL)⁻⁰.¹⁵ h⁻¹, 47.95 ± 1.2 (CFU/mL)⁰.¹ h⁻¹, respectively.

Keywords: z-scheme, E. coli, S. aureus, sol-gel

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42 Implicit and Explicit Mechanisms of Emotional Contagion

Authors: Andres Pinilla Palacios, Ricardo Tamayo

Abstract:

Emotional contagion is characterized as an automatic tendency to synchronize behaviors that facilitate emotional convergence among humans. It might thus play a pivotal role to understand the dynamics of key social interactions. However, a few research has investigated its potential mechanisms. We suggest two complementary but independent processes that may underlie emotional contagion. The efficient contagion hypothesis, based on fast and implicit bottom-up processes, modulated by familiarity and spread of activation in the emotional associative networks of memory. Secondly, the emotional contrast hypothesis, based on slow and explicit top-down processes guided by deliberated appraisal and hypothesis-testing. In order to assess these two hypotheses, an experiment with 39 participants was conducted. In the first phase, participants were induced (between-groups) to an emotional state (positive, neutral or negative) using a standardized video taken from the FilmStim database. In the second phase, participants classified and rated (within-subject) the emotional state of 15 faces (5 for each emotional state) taken from the POFA database. In the third phase, all participants were returned to a baseline emotional state using the same neutral video used in the first phase. In a fourth phase, participants classified and rated a new set of 15 faces. The accuracy in the identification and rating of emotions was partially explained by the efficient contagion hypothesis, but the speed with which these judgments were made was partially explained by the emotional contrast hypothesis. However, results are ambiguous, so a follow-up experiment is proposed in which emotional expressions and activation of the sympathetic system will be measured using EMG and EDA respectively.

Keywords: electromyography, emotional contagion, emotional valence, identification of emotions, imitation

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