Optical and electronic properties of defect chalcopyrite ZnGa2Se4: Experimental and theoretical investigations
The optical properties of ZnGa 2 Se 4 single crystals obtained by gas transport reaction have
been systematically explored using ellipsometry measurements and first-principles …
been systematically explored using ellipsometry measurements and first-principles …
Photoluminescence and density functional theory analysis of BaTio3: Mn
Magnetic and photoluminescence properties of pure BaTiO 3 and doped BaTiO 3: Mn
compounds were studied experimentally and theoretically. The broad band of high intensity …
compounds were studied experimentally and theoretically. The broad band of high intensity …
Lubrication mechanisms of Nb-contained oxides characterizing tribochemistry of NiAl/Nb/Ag composites coatings revealed by the density functional theory (DFT) …
H Guo, P Yan, Z Wu, B Li, F Li, J Hu, Z Chen - Tribology International, 2023 - Elsevier
In this work, the lubrication mechanisms of Nb-contained oxides were revealed by using the
density functional theory (DFT) computation. Concretely, a series of Nb-contained oxides, eg …
density functional theory (DFT) computation. Concretely, a series of Nb-contained oxides, eg …
Mn Impurity in InN Nanoribbon: an Ab Initio Investigation
In the present work, we investigate the electronic structure and magnetism of InN
nanoribbon doped with 3d Mn atoms in different positions by first-principle density functional …
nanoribbon doped with 3d Mn atoms in different positions by first-principle density functional …
Optical and electronic properties of defect chalcopyrite ZnGa2S4
In this paper, we have performed a study on the optical properties of single crystals
ZnGa2S4 by method of density functional theory (DFT) and ellipsometry measurements. The …
ZnGa2S4 by method of density functional theory (DFT) and ellipsometry measurements. The …
Triple A-Site Columnar Ordered Y2CuGaTM4O12 (TM = Mn and Fe) Quadruple Perovskites for Spintronic Applications
HA Alsalmah, S Mehmood, Z Ali - Journal of Inorganic and Organometallic …, 2024 - Springer
Generalized gradient approximation with Hubbard potential (GGA+ U) within the framework
of density functional theory (DFT), the structural and electronic properties, as well as the …
of density functional theory (DFT), the structural and electronic properties, as well as the …
A New Unified Analytical Expression for Entropy and its Application to Power Electronic Semiconductors
Z Dogan, T Mehmetoglu - Journal of Electronic Materials, 2024 - Springer
This study is based on the evaluation of the entropy of solid materials using the more
generally appropriate Einstein–Debye approximation. A new efficient analytical expression …
generally appropriate Einstein–Debye approximation. A new efficient analytical expression …
[PDF][PDF] A study of impurity defect photoluminescence in znse: cr and znse: fe in the near infrared at room temperature
The purpose of this work is to study the photoluminescence spectra observed ZnSe: Cr2+
and ZnSe: Fe2+ samples, is 6.1∙ 1019 cm-3 (sample 1) and 9.83∙ 1018 cm-3 (sample 3), in …
and ZnSe: Fe2+ samples, is 6.1∙ 1019 cm-3 (sample 1) and 9.83∙ 1018 cm-3 (sample 3), in …
Computationally predicted energies and properties of defects
In the present work, we propose an improved method for calculating formation energies,
which reduces the self-interaction error of the general gradient approximation and solves the …
which reduces the self-interaction error of the general gradient approximation and solves the …
Calculation of defect formation energy of point defects in CdGa2Se4
GB Ibragimov, AS Mustafabeyli… - International Journal of …, 2024 - World Scientific
The presented main studies of point defects in CdGa2Se4 chalcopyrite are considered to
quantify the formation energies of three possible models of Cd, Ga and Se vacancy defects …
quantify the formation energies of three possible models of Cd, Ga and Se vacancy defects …