Search results for: pseudo-potential

Authors: Nnamdi N. Omehe, Chibuzo Emeruwa

Abstract:

ZnIn2Se4 and ZnIn2Te4 are vacancy defect materials whose properties have been investigated using Density Functional Theory (DFT) framework. The pseudopotential method in conjunction with the LDA+U technique and the Projector Augmented Wave (PAW) was used to calculate the electronic band structure, total density of state, and the partial density of state; while the norm-conserving pseudopotential was used to calculate the dielectric response function with scissors shift. Both ZnIn2Se4 and ZnIn2Te4 were predicted to be semiconductors with energy band gap of 1.66 eV and 1.33 eV respectively, and they both have direct energy band gap at the gamma point of high symmetry. The topmost valence subband for ZnIn2Se4 and ZnIn2Te4 has an energy width of 5.7 eV and 6.0 eV respectively. The calculations of partial density of state (PDOS) show that for ZnIn2Se4, the top of the valence band is dominated by Se-4p orbital, while the bottom of the conduction band is composed of In-5p, In-5s, and Zn-4s states. PDOS for ZnIn2Te4, shows that the top of the valence band is mostly of Te-5p states, while its conduction band bottom is composed mainly of Zn-4s, Te-5p, Te-5s, and In-5s states. Dielectric response function calculation yielded (0) of 11.9 and 36 for ZnIn2Se4 and ZnIn2Te4 respectively.

Keywords: Optoelectronic, Dielectric Response Function, LDA+U, band structure calculation.

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Authors: Abdesselem Dakhli, Wajdi Bellil, Chokri Ben Amar

Abstract:

DNA Barcode provides good sources of needed information to classify living species. The classification problem has to be supported with reliable methods and algorithms. To analyze species regions or entire genomes, it becomes necessary to use the similarity sequence methods. A large set of sequences can be simultaneously compared using Multiple Sequence Alignment which is known to be NP-complete. However, all the used methods are still computationally very expensive and require significant computational infrastructure. Our goal is to build predictive models that are highly accurate and interpretable. In fact, our method permits to avoid the complex problem of form and structure in different classes of organisms. The empirical data and their classification performances are compared with other methods. Evenly, in this study, we present our system which is consisted of three phases. The first one, is called transformation, is composed of three sub steps; Electron-Ion Interaction Pseudopotential (EIIP) for the codification of DNA Barcodes, Fourier Transform and Power Spectrum Signal Processing. Moreover, the second phase step is an approximation; it is empowered by the use of Multi Library Wavelet Neural Networks (MLWNN). Finally, the third one, is called the classification of DNA Barcodes, is realized by applying the algorithm of hierarchical classification.

Keywords: DNA Barcode, Electron-Ion Interaction Pseudopotential, Multi Library Wavelet Neural Networks.

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Authors: Hamid Reza Pakzad

Abstract:

Dust acoustic solitary waves are studied in warm dusty plasma containing negatively charged dusts, nonthermal ions and Boltzmann distributed electrons. Sagdeev pseudopotential method is used in order to investigate solitary wave solutions in the plasmas. The existence of compressive and rarefractive solitons is studied.

Keywords: Nonthermal, Soliton, Dust, Sagdeev potential

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Authors: Hamid Reza Pakzad

Abstract:

Ion-acoustic solitary waves in a plasma with nonthermal electrons, thermal positrons and warm ions are investigated using Sagdeev-s pseudopotential technique. We study the effects of non-thermal electrons and ion temperature on solitons and show both negative and positive potential waves are possible.

Keywords: Ion acoustic waves, Solitons, Nonlinear phenomena, Sagdeev potential

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Authors: N. N. Omehe

Abstract:

CdSiP2 and CdsiAs2 are nonlinear optical materials for near and mid-infrared applications. Density functional theory has been applied to study the structure, band gap, and optical properties of these materials. The pseudopotential method was used in the form of projector augmented wave (PAW) and norm-conserving, the band structure calculations yielded a band gap of 1.55 eV and 0.88 eV for CdSiP2 and CdsiAs2 respectively. The values of ε1(ω)  from the doelectric function calculations are 15 and 14.9 CdSiP2 and CdsiAs2 respectively.

Keywords: Band structure, chalcopyrite, near-infrared materials, mid-infrared materials, nonlinear material, optical properties.

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Authors: Basudev Ghosh, Sreyasi Banerjee

Abstract:

Using the pseudopotential technique the Sagdeev potential equation has been derived in a plasma consisting of twotemperature nonisothermal electrons, negatively charged dust grains and warm positive ions. The study shows that the presence of nonisothermal two-temperature electrons and charged dust grains have significant effects on the excitation and structure of the ionacoustic double layers in the model plasma under consideration. Only compressive type double layer is obtained in the present plasma model. The double layer solution has also been obtained by including higher order nonlinearity and nonisothermality, which is shown to modify the amplitude and deform the shape of the double layer.

Keywords: Two temperature non-isothermal electrons and charged dust grains.

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Authors: B. Ghosh, H. Sahoo, K. K. Mondal

Abstract:

Propagation of arbitrary amplitude nonlinear Alfven waves has been investigated in low but finite β electron-positron-ion plasma including full ion dynamics. Using Sagdeev pseudopotential method an energy integral equation has been derived. The Sagdeev potential has been calculated for different plasma parameters and it has been shown that inclusion of ion parallel motion along the magnetic field changes the nature of slow shear Alfven wave solitons from dip type to hump type. The effects of positron concentration, plasma-β and obliqueness of the wave propagation on the solitary wave structure have also been examined.

Keywords: Alfven waves, Sagdeev potential, Solitary waves.

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