Search results for: electronic band structiure
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 2610

Search results for: electronic band structiure

2580 Trions in Semiconductor Quantum Dot System

Authors: Jayden Leonard, Nguyen Que Huong

Abstract:

In this work, we study the Trion state in a spherical quantum dot of a direct band gap semiconductor with a shell of organic material. The electronic structure of the Trion due to degenerate valence band will be considered. The coupling between the wannier exciton inside the dot and the Frenkel exciton in the shell will make the Trion state become hybrid. The competition between “semiconductor” and “organic” phases of the Trion and the transitions between them depend on Parameters of the system such as the materials, the size of the dot and the thickness of the shell, etc… and could be manipulated using those parameters.

Keywords: trion, exciton, quantum dot, heterostructure

Procedia PDF Downloads 146
2579 Unveiling the Impact of Ultra High Vacuum Annealing Levels on Physico-Chemical Properties of Bulk ZnSe Semiconductor

Authors: Kheira Hamaida, Mohamed Salah Halati

Abstract:

In this current paper, our aim work is to link as possible the obtained simulation results and the other experimental ones, just focusing on the electronic and optical properties of ZnSe. The predictive spectra of the total and partial densities of states using the Full Potential Linearized/Augmented Plane Wave method with the newly Tran-Blaha (TB) modified Becke-Johnson (mBJ) exchange-correlation potential (EXC). So the upper valence energy (UVE) levels contain the relative contribution of Se-(4p and 3d) states with considerable contribution from the electrons of Zn-2s orbital. The dielectric function of w-ZnSe, with its two parts, appears with a noticeable anisotropy character. The microscopic origins of the electronic states that are responsible for the observed peaks in the spectrum are determined through the decomposition of the spectrum to the individual contributions of the electronic transitions between the pairs of bands, where Vi is an occupied state in the valence band, and Ci is an unoccupied state in the conduction band. X-PES (X Ray-Photo Electron Spectroscopy) is an important technique used to probe the homogeneity, stoichiometry, and purity state of the title compound. In order to check the electron transitions derived from simulations and the others from Reflected Electron Energy Loss Spectroscopy (REELS) technique which was of great sensitivity, is used to determine the interband electronic transitions. In the optical window (Eg), all the electron energy states created were also determined through the specific gaussian deconvolution of the photoluminescence spectrum (PLS) that probed under a room temperature (RT).

Keywords: spectroscopy, WIEN2K, IIB-VIA semiconductors, dielectric function

Procedia PDF Downloads 37
2578 Raman Spectroscopy of Carbon Nanostructures in Strong Magnetic Field

Authors: M. Kalbac, T. Verhagen, K. Drogowska, J. Vejpravova

Abstract:

One- and two-dimensional carbon nano structures with sp2 hybridization of carbon atoms (single walled carbon nano tubes and graphene) are promising materials in future electronic and spintronics devices due to specific character of their electronic structure. In this paper, we present a comparative study of graphene and single-wall carbon nano tubes by Raman spectro-microscopy in strong magnetic field. This unique method allows to study changes in electronic band structure of the two types of carbon nano structures induced by a strong magnetic field.

Keywords: carbon nano structures, magnetic field, raman spectroscopy, spectro-microscopy

Procedia PDF Downloads 238
2577 Multi-Band Frequency Conversion Scheme with Multi-Phase Shift Based on Optical Frequency Comb

Authors: Tao Lin, Shanghong Zhao, Yufu Yin, Zihang Zhu, Wei Jiang, Xuan Li, Qiurong Zheng

Abstract:

A simple operated, stable and compact multi-band frequency conversion and multi-phase shift is proposed to satisfy the demands of multi-band communication and radar phase array system. The dual polarization quadrature phase shift keying (DP-QPSK) modulator is employed to support the LO sideband and the optical frequency comb simultaneously. Meanwhile, the fiber is also used to introduce different phase shifts to different sidebands. The simulation result shows that by controlling the DC bias voltages and a C band microwave signal with frequency of 4.5 GHz can be simultaneously converted into other signals that cover from C band to K band with multiple phases. It also verifies that the multi-band and multi-phase frequency conversion system can be stably performed based on current manufacturing art and can well cope with the DC drifting. It should be noted that the phase shift of the converted signal also partly depends of the length of the optical fiber.

Keywords: microwave photonics, multi-band frequency conversion, multi-phase shift, conversion efficiency

Procedia PDF Downloads 221
2576 Polymer in Electronic Waste: An Analysis

Authors: Anis A. Ansari, Aftab A. Ansari

Abstract:

Electronic waste is inundating the traditional solid-waste-disposal facilities, which are inadequately designed to handle and manage such type of new wastes. Since electronic waste contains mostly hazardous and even toxic materials, the seriousness of its effects on human health and the environment cannot be ignored in present scenario. Waste from the electronic industry is increasing exponentially day by day. From the last 20 years, we are continuously generating huge quantities of e-waste such as obsolete computers and other discarded electronic components, mainly due to evolution of newer technologies as a result of constant efforts in research and development in this sector. Polymers, one of the major constituents in almost every electronic waste, such as computers, printers, electronic equipment, entertainment devices, mobile phones, television sets etc., are if properly recycled can create a new business opportunity. This would not only create potential market for polymers to improve economy but also the priceless land used as dumping sites of electronic waste, can be utilized for other productive purposes.

Keywords: polymer recycling, electronic waste, hazardous materials, electronic components

Procedia PDF Downloads 442
2575 Dual Band Antenna Design with Compact Radiator for 2.5/5.2/5.8 Ghz Wlan Application Using Genetic Algorithm

Authors: Ramnath Narhete, Saket Pandey, Puran Gour

Abstract:

This paper presents of dual-band planner antenna with a compact radiator for 2.4/5.2/5.8 proposed by optimizing its resonant frequency, Bandwidth of operation and radiation frequency using the genetic algorithm. The antenna consists L-shaped and E-shaped radiating element to generate two resonant modes for dual band operation. The above techniques have been successfully used in many applications. Dual band antenna with the compact radiator for 2.4/5.2/5.8 GHz WLAN application design and radiator size only width 8mm and a length is 11.3 mm. The antenna can we used for various application in the field of communication. Genetic algorithm will be used to design the antenna and impedance matching network.

Keywords: genetic algorithm, dual-band E, dual-band L, WLAN, compact radiator

Procedia PDF Downloads 554
2574 Characterization of Nickel Based Metallic Superconducting Materials

Authors: Y. Benmalem , A. Abbad, W. Benstaali, T. Lantri

Abstract:

Density functional theory is used to investigate the.the structural, electronic, and magnetic properties of the cubic anti-perovskites InNNi3 and ZnNNi3. The structure of antiperovskite also called (perovskite-inverse) identical to the perovskite structure of the general formula ABX3, where A is a main group (III–V) element or a metallic element, B is carbon or nitrogen, and X is a transition metal, displays a wide range of interesting physical properties, such as giant magnetoresistance. Elastic and electronic properties were determined using generalized gradient approximation (GGA), and local spin density approximation (LSDA) approaches, ), as implemented in the Wien2k computer package. The results show that the two compounds are strong ductile and satisfy the Born-Huang criteria, so they are mechanically stable at normal conditions. Electronic properties show that the two compounds studied are metallic and non-magnetic. The studies of these compounds have confirmed the effectiveness of the two approximations and the ground-state properties are in good agreement with experimental data and theoretical results available.

Keywords: anti-perovskites, elastic anisotropy, electronic band structure, first-principles calculations

Procedia PDF Downloads 252
2573 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

Abstract:

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

Procedia PDF Downloads 326
2572 Polarization Insensitive Absorber with Increased Bandwidth Using Multilayer Metamaterial

Authors: Srilaxmi Gangula, MahaLakshmi Vinukonda, Neeraj Rao

Abstract:

A wide band polarization insensitive metamaterial absorber with bandwidth enhancement in X and C band is proposed. The structure proposed here consists of a periodic unit cell of resonator arrangements in double layer. The proposed structure shows near unity absorption at frequencies of 6.21 GHz and 10.372 GHz spreading over a bandwidth of 1 GHz and 6.21 GHz respectively in X and C bands. The proposed metamaterial absorber is designed so as to increase the bandwidth. The proposed structure is also independent for TE and TM polarization. Because of its simple implementation, near unity absorption and wide bandwidth this dual band polarization insensitive metamaterial absorber can be used for EMI/EMC applications.

Keywords: absorber, C-band, metamaterial, multilayer, X-band

Procedia PDF Downloads 111
2571 Ab Initio Calculations of Structure and Elastic Properties of BexZn1−xO Alloys

Authors: S. Lakel, F. Elhamra, M. Ibrir, K. Almi

Abstract:

There is a growing interest in Zn1-xBexO (ZBO)/ZnO hetero structures and quantum wells since the band gap energy of Zn1-xBexO solid solutions can be turned over a very large range (3.37–10.6 eV) as a function of the Be composition. ZBO/ZnO has been utilized in ultraviolet light emission diodes and lasers, and may find applications as active elements of various other electronic and optoelectronic devices. Band gap engineering by Be substitution enables the facile preparation of barrier layers and quantum wells in device structures. In addition, ZnO and its ternary alloys, as piezoelectric semiconductors, have been used for high-frequency surface acoustic wave devices in wireless communication systems due to their high acoustic velocities and large electromechanical coupling. However, many important parameters such as elastic constants, bulk modulus, Young’s modulus and band-gap bowing. First-principles calculations of the structural, electrical and elastic properties of Zn1-xBexO as a function of the Be concentration x have been performed within density functional theory using norm-conserving pseudopotentials and local density approximation (LDA) for the exchange and correlation energy. The alloys’ lattice constants may deviate from the Vegard law. As Be concentration increases, the elastic constants, the bulk modulus and Young’s modulus of the alloys increase, the band gap increases with increasing Be concentration and Zn1-xBexO alloys have direct band. Our calculated results are in good agreement with experimental data and other theoretical calculations.

Keywords: DFT calculation, norm-conserving pseudopotentials, ZnBeO alloys, ZnO

Procedia PDF Downloads 493
2570 Spin Resolved Electronic Behavior of Zno Nanoribbons

Authors: Serkan Caliskan

Abstract:

The aim of this study is to understand the spin-resolved properties of ZnO armchair and zigzag nanoribbons. The spin polarization can be induced by either geometry of the nanoribbons or ferromagnetic electrodes. Hence, spin-dependent behavior is revealed in these nanostructures in the absence of external magnetic field. Both electronic structure and magnetic properties of the nanoribbons are analyzed, employing first-principles calculations through Density Functional Theory. The relevant properties using the spin-dependent band structure, conductance, transmission, density of states and magnetic moment are elucidated. These results can be utilized to describe the nanoscale structures and stimulate the experimental works.

Keywords: first principles, spin polarized transport, ZnO device, ZnO nanoribbons

Procedia PDF Downloads 161
2569 Effect of Band Application of Organic Manures on Growth and Yield of Pigeonpea (Cajanus cajan (L.) Millsp.)

Authors: S. B. Kalaghatagi, A. K. Guggari, Pallavi S. Manikashetti

Abstract:

A field experiment to study the effect of band application of organic manures on growth and yield of pigeon pea was conducted during 2016-17 at Kharif Seed Farm, College of Agriculture, Vijayapura. The experiment was carried out in randomized block design with thirteen treatments viz., T1 to T6 were band application of vermicompost at 0.5, 1.0, 1.5, 2.0, 2.5, 3.0 t ha⁻¹, respectively. The treatments T7 to T12 include band application of sieved FYM at 1, 2, 3, 4, 5 and 6 t ha⁻¹, respectively and were compared with already recommended practice of broadcasting of FYM at 6 t ha⁻¹ (T13); and recommended dose of fertilizer (25:50:0 NPK kg ha⁻¹) was applied commonly to all the treatments. The results revealed that band application of vermicompost (VC) at 3 t ha⁻¹ recorded significantly higher number of pods plant⁻¹ (116), grain weight plant⁻¹ (37.35 g), grain yield (1,647 kg ha⁻¹), stalk yield (2,920 kg ha⁻¹) and harvest index (0.36) and was on par with the band application of VC at 2.0 and 2.5 t ha⁻¹ and sieved FYM at 4.0 and 5.0 t ha⁻¹ as compared to broadcasting of FYM at 6 t ha-1 (99.33, 24.07 g, 1,061 kg ha⁻¹, 2,920 kg ha⁻¹ and 0.36, respectively). Significantly higher net return (Rupees 59,410 ha⁻¹) and benefit cost ratio of 2.92 recorded with band application of VC at 3 t ha⁻¹ over broadcasting of FYM at 6 tonnes per ha (Rupees 25,401 ha⁻¹ and 1.78, respectively). It indicates from the above results that, growing of pigeon pea with band application of VC at 2, 2.5 and 3 t ha⁻¹ and sieved FYM at 4 and 5 t ha⁻¹ leads to saving of 1 tonne of VC and 2 tonnes of FYM per ha.

Keywords: organic manures, rainfed pigeonpea, sieved FYM, vermicompost

Procedia PDF Downloads 178
2568 Depiction of a Circulated Double Psi-Shaped Microstrip Antenna for Ku-Band Satellite Applications

Authors: M. Naimur Rahman, Mohammad Tariqul Islam, Mandeep Singh Jit Singh, Norbahiah Misran

Abstract:

This paper presents the architecture and exploration of a compact, circulated double Psi-shaped microstrip patch antenna for Ku-band satellite applications. The antenna is composed of the double Psi-shaped patch in opposite focus which is circulated with a ring. The antenna size is 24 mm × 18 mm and the prototype is imprinted on Rogers RT/duroid 5880 materials with the depth of 1.57 mm. The substrate has a relative permittivity of 2.2 and the dielectric constant of 0.0009. The excitation is supplied through a 50Ω microstrip line. The performance of the presented antenna has been simulated and verified with the High-Frequency Structural Simulator (HFSS). The results depict that the antenna covers the frequency spectrum 14.6 - 17.4 GHz (Ku-band) with 10 dB return loss. The antenna has a 4.40 dBi maximum gain with stable radiation patterns throughout the operating band which makes the proposed antenna compatible for the satellite application in Ku-band.

Keywords: Ku-band antenna, microstrip antenna, psi-shaped antenna, satellite applications

Procedia PDF Downloads 273
2567 Electronic Structure and Optical Properties of YNi₄Si-Type GdNi₅: A Coulomb Corrected Local-Spin Density Approximation Study

Authors: Sapan Mohan Saini

Abstract:

In this work, we report the calculations on the electronic and optical properties of YNi₄Si-type GdNi₅ compound. Calculations are performed using the full-potential augmented plane wave (FPLAPW) method in the framework of density functional theory (DFT). The Coulomb corrected local-spin density approximation (LSDA+U) in the self-interaction correction (SIC) has been used for exchange-correlation potential. Spin polarised calculations of band structure show that several bands cross the Fermi level (EF) reflect the metallic character. Analysis of density of states (DOS) demonstrates that spin up Gd-f states lie around 7.5 eV below EF and spin down Gd-f lie around 4.5 eV above EF. We found Ni-3d states mainly contribute to DOS from -5.0 eV to the EF. Our calculated results of optical conductivity agree well with the experimental data.

Keywords: electronic structure, optical properties, FPLAPW method, YNi₄Si-type GdNi₅

Procedia PDF Downloads 142
2566 Machines Hacking Humans: Performances Practices in Electronic Music during the 21st Century

Authors: Zimasa Siyasanga Gysman

Abstract:

This paper assesses the history of electronic music and its performance to illustrate that machines and technology have largely influenced how humans perform electronic music. The history of electronic music mainly focuses on the composition and production of electronic music with little to no attention paid to its performance by the majority of scholars in this field. Therefore, establishing a history of performance involves investigating what compositions of electronic music called for in the production of electronic music performance. This investigation into seminal works in the history of electronic music, therefore, illustrates the aesthetics of electronic music performance and the aesthetics established in the very beginnings of electronic music performance demonstrate the aesthetics of electronic music which are still prevalent today. The key aesthetics are the repurposing of technology and the hybridisation of technology. Performers take familiar technology (technology that society has become accustomed to using in daily life), not necessarily related to music or performance and use it as an instrument in their performances, such as a rotary dial telephone. Likewise, since the beginnings of electronic music, producers have always experimented with the latest technologies available to them in their compositions and performances. The spirit of performers of electronic music, therefore, revolves around repurposing familiar technologies and using them in new ways, whilst similarly experimenting with new technologies in their performances. This process of hybridisation plays a key role in the production and performance of electronic music in the twentieth century. Through various interviews with performers of electronic music, it is shown that these aesthetics are driving performance practices in the twenty-first century.

Keywords: body, hybridisation, performance, sound

Procedia PDF Downloads 133
2565 Proximity-Inset Fed Triple Band Antenna for Global Position System with High Gain

Authors: The Nan Chang, Ping-Tang Yu, Jyun-Ming Lin

Abstract:

A triple band circularly polarized antenna covering 1.17, 1.22, and 1.57 GHz is presented. To extend to the triple-band operation, we need to add one more ring while maintaining the mechanism to independently control each ring. The inset-part in the feeding scheme is used to excite the band at 1.22 GHz, while the proximate-part of the feeding scheme is used to excite not only the band at 1.57 GHz but also the band at 1.17 GHz. This is achieved by up-vertically coupled with one ring to radiate at 1.57 GHz and down-vertically coupled another ring to radiate at 1.17 GHz. It is also noted that the inset-part in our feeding scheme is by horizontal coupling. Furthermore, to increase the gain at all three bands, three air-layers are added to make the total height of the antenna be 7.8 mm. The total thickness of the three air-layers is 3 mm. The gains of the three bands are all greater than 5 dBiC after adding the air-layers.

Keywords: circular polarization, global position system, high gain, triband antenna

Procedia PDF Downloads 208
2564 Optimization of a Hand-Fan Shaped Microstrip Patch Antenna by Means of Orthogonal Design Method of Design of Experiments for L-Band and S-Band Applications

Authors: Jaswinder Kaur, Nitika, Navneet Kaur, Rajesh Khanna

Abstract:

A hand-fan shaped microstrip patch antenna (MPA) for L-band and S-band applications is designed, and its characteristics have been reconnoitered. The proposed microstrip patch antenna with double U-slot defected ground structure (DGS) is fabricated on an FR4 substrate which is a very readily available and inexpensive material. The suggested antenna is optimized using Orthogonal Design Method (ODM) of Design of Experiments (DOE) to cover the frequency range from 0.91-2.82 GHz for L-band and S-band applications. The L-band covers the frequency range of 1-2 GHz, which is allocated to telemetry, aeronautical, and military systems for passive satellite sensors, weather radars, radio astronomy, and mobile communication. The S-band covers the frequency range of 2-3 GHz, which is used by weather radars, surface ship radars and communication satellites and is also reserved for various wireless applications such as Worldwide Interoperability for Microwave Access (Wi-MAX), super high frequency radio frequency identification (SHF RFID), industrial, scientific and medical bands (ISM), Bluetooth, wireless broadband (Wi-Bro) and wireless local area network (WLAN). The proposed method of optimization is very time efficient and accurate as compared to the conventional evolutionary algorithms due to its statistical strategy. Moreover, the antenna is tested, followed by the comparison of simulated and measured results.

Keywords: design of experiments, hand fan shaped MPA, L-Band, orthogonal design method, S-Band

Procedia PDF Downloads 104
2563 Study υ_4 Fundamental Band of 12 CD4 Molecule

Authors: Kaarour Abdelkrim, Ouardi Okkacha, Meskine Mohamed

Abstract:

In this study, the υ_4 fundamental band of 12CD4 molecule has been studied by infrared spectroscopy with high resolution. Using XTDS and SPEVIEW software and the tensor formalism developed by ICB (laboratoire interdisciplinaire de Bourgogne) to several lines have been assigned and fitted with a standard deviation acceptable. This analysis allowed us to calculate several parameters of the molecule 12 CD4.

Keywords: XTDS, SPEVIEW, tetrahedral tensorial formalism, rovibrational band

Procedia PDF Downloads 286
2562 Calculated Structural and Electronic Properties of Mg and Bi

Authors: G. Patricia Abdel Rahim, Jairo Arbey Rodriguez M, María Guadalupe Moreno Armenta

Abstract:

The present study shows the structural, electronic and magnetic properties of magnesium (Mg) and bismuth (Bi) in a supercell (1X1X5). For both materials were studied in five crystalline structures: rock salt (NaCl), cesium chloride (CsCl), zinc-blende (ZB), wurtzite (WZ), and nickel arsenide (NiAs), using the Density Functional Theory (DFT), the Generalized Gradient Approximation (GGA), and the Full Potential Linear Augmented Plane Wave (FP-LAPW) method. By means of fitting the Murnaghan's state equation we determine the lattice constant, the bulk modulus and it's derived with the pressure. Also we calculated the density of states (DOS) and the band structure.

Keywords: bismuth, magnesium, pseudo-potential, supercell

Procedia PDF Downloads 785
2561 An Efficient Separation for Convolutive Mixtures

Authors: Salah Al-Din I. Badran, Samad Ahmadi, Dylan Menzies, Ismail Shahin

Abstract:

This paper describes a new efficient blind source separation method; in this method we use a non-uniform filter bank and a new structure with different sub-bands. This method provides a reduced permutation and increased convergence speed comparing to the full-band algorithm. Recently, some structures have been suggested to deal with two problems: reducing permutation and increasing the speed of convergence of the adaptive algorithm for correlated input signals. The permutation problem is avoided with the use of adaptive filters of orders less than the full-band adaptive filter, which operate at a sampling rate lower than the sampling rate of the input signal. The decomposed signals by analysis bank filter are less correlated in each sub-band than the input signal at full-band, and can promote better rates of convergence.

Keywords: Blind source separation, estimates, full-band, mixtures, sub-band

Procedia PDF Downloads 422
2560 A Case Study on Tension Drop of Cable-band Bolts in Suspension Bridge

Authors: Sihyun Park, Hyunwoo Kim, Wooyoung Jung, Dongwoo You

Abstract:

Regular maintenance works are very important on the axial forces of the cable-band bolts in suspension bridges. The band bolts show stress reduction for several reasons, including cable wire creep, the bolt relaxation, load fluctuation and cable rearrangements, etc., with time. In this study, with respect to the stress reduction that occurs over time, we carried out the theoretical review of the main cause based on the field measurements. As a result, the main cause of reduction in the cable-band bolt axial force was confirmed by the plastic deformation of the zinc plating layer used in the main cable wire, and thus, the theoretical process was established for the practical use in the field.

Keywords: cable-band Bolts, field test, maintenance, stress reduction

Procedia PDF Downloads 302
2559 Theoretical Investigation of Electronic, Structural and Thermoelectric Properties of Mg₂SiSn (110) Surface

Authors: M. Ramesh, Manish K. Niranjan

Abstract:

The electronic, structural and thermoelectric properties of Mg₂SiSn (110) surface are investigated within the framework of first principle density functional theory and semi classical Boltzmann approach. In particular, directional dependent thermoelectric properties such as electrical conductivity, thermal conductivity, Seebeck coefficient and figure of merit are explored. The (110)-oriented Mg₂SiSn surface exhibits narrow indirect band gap of ~0.17 eV. The thermoelectric properties are found to be significant along the y-axis at 300 K and along x-axis at 500 K. The figure of merit (ZT) for hole carrier concentration is found to be significantly large having magnitude 0.83 (along x-axis) at 500 K and 0.26 (y-axis) at 300 K. Our results suggest that Mg₂SiSn (110) surface is promising for various thermoelectric applications due to its overall good thermoelectric properties.

Keywords: thermoelectric, surface science, semiconducting silicide, first principles calculations

Procedia PDF Downloads 198
2558 Investigation of Physical Properties of W-Doped CeO₂ and Mo-Doped CeO₂: A Density Functional Theory Study

Authors: Aicha Bouhlala, Sabah Chettibi

Abstract:

A systematic investigation on structural, electronic, and magnetic properties of Ce₀.₇₅A₀.₂₅O₂ (A = W, Mo) is performed using first-principles calculations within the framework Full-Potential Linear Augmented Plane Wave (FP-LAPW) method based on the Density Functional Theory (DFT). The exchange-correlation potential has been treated using the generalized gradient approximation (WC-GGA) developed by Wu-Cohen. The host compound CeO2 was doped with transition metal atoms W and Mo in the doping concentration of 25% to replace the Ce atom. In structural properties, the equilibrium lattice constant is observed for the W-doped CeO₂ compound which exists within the value of 5.314 A° and the value of 5.317 A° for Mo-doped CeO2. The present results show that Ce₀.₇₅A₀.₂₅O₂ (A=W, Mo) systems exhibit semiconducting behavior in both spin channels. Although undoped CeO₂ is a non-magnetic semiconductor. The band structure of these doped compounds was plotted and they exhibit direct band gap at the Fermi level (EF) in the majority and minority spin channels. In the magnetic properties, the doped atoms W and Mo play a vital role in increasing the magnetic moments of the supercell and the values of the total magnetic moment are found to be 1.998 μB for Ce₀.₇₅W₀.₂₅O₂ and to be 2.002 μB for Ce₀.₇₅Mo₀.₂₅O₂ compounds. Calculated results indicate that the magneto-electronic properties of the Ce₁₋ₓAₓO₂(A= W, Mo) oxides supply a new way to the experimentalist for the potential applications in spintronics devices.

Keywords: FP-LAPW, DFT, CeO₂, properties

Procedia PDF Downloads 186
2557 Design of Compact Dual-Band Planar Antenna for WLAN Systems

Authors: Anil Kumar Pandey

Abstract:

A compact planar monopole antenna with dual-band operation suitable for wireless local area network (WLAN) application is presented in this paper. The antenna occupies an overall area of 18 ×12 mm2. The antenna is fed by a coplanar waveguide (CPW) transmission line and it combines two folded strips, which radiates at 2.4 and 5.2 GHz. In the proposed antenna, by optimally selecting the antenna dimensions, dual-band resonant modes with a much wider impedance matching at the higher band can be produced. Prototypes of the obtained optimized design have been simulated using EM solver. The simulated results explore good dual-band operation with -10 dB impedance bandwidths of 50 MHz and 2400 MHz at bands of 2.4 and 5.2 GHz, respectively, which cover the 2.4/5.2/5.8 GHz WLAN operating bands. Good antenna performances such as radiation patterns and antenna gains over the operating bands have also been observed. The antenna with a compact size of 18×12×1.6 mm3 is designed on an FR4 substrate with a dielectric constant of 4.4.

Keywords: CPW antenna, dual-band, electromagnetic simulation, wireless local area network (WLAN)

Procedia PDF Downloads 181
2556 Effects of Position and Shape of Atomic Defects on the Band Gap of Graphene Nano-Ribbon Superlattices

Authors: Zeinab Jokar, Mohammad Reza Moslemi

Abstract:

In this work, we study the behavior of introducing atomic size vacancy in a graphene nanoribbon superlattice. Our investigations are based on the density functional theory (DFT) with the Local Density Approximation in Atomistix Toolkit (ATK). We show that, in addition to its shape, the position of vacancy has a major impact on the electrical properties of a graphene nanoribbon superlattice. We show that the band gap of an armchair graphene nanoribbon may be tuned by introducing an appropriate periodic pattern of vacancies. The band gap changes in a zig-zag manner similar to the variation of the band gap of a graphene nanoribbon by changing its width.

Keywords: AGNR, antidot, atomistic toolKit, vacancy

Procedia PDF Downloads 945
2555 First Principle Calculation of The Magnetic Properties of Mn-doped 6H-SiC

Authors: M. Al Azri, M. Elzain, K. Bouziane, S. M. Chérif

Abstract:

The electronic and magnetic properties of 6H-SiC with Mn impurities have been calculated using ab-initio calculations. Various configurations of Mn sites and Si and C vacancies were considered. The magnetic coupling between the two Mn atoms at substitutional and interstitials sites with and without vacancies is studied as a function of Mn atoms interatomic distance. It was found that the magnetic interaction energy decreases with increasing distance between the magnetic atoms. The energy levels appearing in the band gap due to vacancies and due to Mn impurities are determined. The calculated DOS’s are used to analyze the nature of the exchange interaction between the impurities. The band coupling model based on the p-d and d-d level repulsions between Mn and SiC has been used to describe the magnetism observed in each configuration. Furthermore, the impacts of applying U to Mn-d orbital on the magnetic moment have also been investigated. The results are used to understand the experimental data obtained on Mn- 6H-SiC (as-implanted and as –annealed) for various Mn concentration (CMn = 0.7%, 1.6%, 7%).

Keywords: ab-initio calculations, diluted magnetic semiconductors, magnetic properties, silicon carbide

Procedia PDF Downloads 259
2554 Recovery of Polymers from Electronic Waste - An Analysis

Authors: Anis A. Ansari, Syed Javed Arif

Abstract:

From the last two-three decades, all countries are continuously generating huge quantities of electronic waste in the form of obsolete computers, gadgets and other discarded electronic instruments mainly due to evolution of newer technologies as a result of constant efforts in research and development in this area. This is the primary reason why waste from the electronic industry is increasing exponentially day by day. Thermoset and thermoplastic polymers, which are the major constituents in every electronic waste, may create a new business opportunity if these are recovered and recycled properly. This may reduce our directly dependency on petroleum and petro-products for polymer materials and also create a potential market for recycled polymers to improve economy. The main theme of this paper is to evolve the potential of recovery and recycling of polymers from the waste being generated globally in the form of discarded electronic products.

Keywords: polymer recovery, electronic waste, petroleum, thermoplastics

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2553 A Framework for Organizational Architecture of Electronic City and Electronic Municipality

Authors: Ali Zeynali Azim, Mostfa Basiry, Samira Kafshi, Elnaz Behnoud

Abstract:

This study provides a framework for enterprise architecture in electronic city is electronic municipality. Nowadays, information technology as an emerging phenomenon has a special place in the world. Development of information and communication technology causes many changes in various fields, including emerging e-cities, municipalities and citizens. However, e-city and e-municipality need essential enterprise architecture. In order to develop enterprise architecture of e-city and e-municipality, enterprise architecture maturity method should be applied. Therefore, one of the most important needs of organizations is to choose important activities according to limitations. The studies show that there is a close relationship between IT, enterprise architecture, e-city and e-municipality. This study aimed to clarify the concept of IT, enterprise architecture, electronic city and e-municipality and how they are related to each other. Is the existence of each of IT, enterprise architecture, electronic and electronic municipal requires each other?

Keywords: enterprise architecture, e-city, e-municipality, e-government, e-citizen, service-oriented architecture

Procedia PDF Downloads 494
2552 First Principle Calculations of the Structural and Optoelectronic Properties of Cubic Perovskite CsSrF3

Authors: Meriem Harmel, Houari Khachai

Abstract:

We have investigated the structural, electronic and optical properties of a compound perovskite CsSrF3 using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). In this approach, both the local density approximation (LDA) and the generalized gradient approximation (GGA) were used for exchange-correlation potential calculation. The ground state properties such as lattice parameter, bulk modulus and its pressure derivative were calculated and the results are compared whit experimental and theoretical data. Electronic and bonding properties are discussed from the calculations of band structure, density of states and electron charge density, where the fundamental energy gap is direct under ambient conditions. The contribution of the different bands was analyzed from the total and partial density of states curves. The optical properties (namely: the real and the imaginary parts of the dielectric function ε(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 35.0 eV. This is the first quantitative theoretical prediction of the optical properties for the investigated compound and still awaits experimental confirmations.

Keywords: DFT, fluoroperovskite, electronic structure, optical properties

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2551 Design and Analysis of a New Dual-Band Microstrip Fractal Antenna

Authors: I. Zahraoui, J. Terhzaz, A. Errkik, El. H. Abdelmounim, A. Tajmouati, L. Abdellaoui, N. Ababssi, M. Latrach

Abstract:

This paper presents a novel design of a microstrip fractal antenna based on the use of Sierpinski triangle shape, it’s designed and simulated by using FR4 substrate in the operating frequency bands (GPS, WiMAX), the design is a fractal antenna with a modified ground structure. The proposed antenna is simulated and validated by using CST Microwave Studio Software, the simulated results presents good performances in term of radiation pattern and matching input impedance.

Keywords: dual-band antenna, fractal antenna, GPS band, modified ground structure, sierpinski triangle, WiMAX band

Procedia PDF Downloads 422