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Ab initio calculation of structural, electronic, and optical properties of TlxGa1-xAs ternary alloys
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10.1016/j.cocom.2020.e00505 |
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Linear and nonlinear optical properties of RbTiOPO4-KTiOPO4 alloys studied from first principles
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10.1063/5.0022362 |
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A combined experimental and theoretical optimization of the refractive index of NixMg1-xO solid solution for transparent nanocomposite applications
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10.1016/j.ceramint.2020.05.080 |
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Ab initio analysis of structural and electronic properties and excitonic optical responses of eight Ge-based 2D materials
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10.1063/5.0008824 |
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محاسبة خواص ساختاري و الكتروني تركيبات نيم رساناي III- V با استفاده از تابعي هاي پيشرفته نظرية تابعي چگالي
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Effects of strain on electronic and magnetic properties of Co/WS2 nanolayer: A density functional and Monte Carlo study
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10.1103/PhysRevB.100.085423 |
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Ab initio investigation of magnetic ordering in the double perovskite Sr2NiWO6
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10.1103/PhysRevB.99.104411 |
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Ab initio simulation of the structure and transport properties of zirconium and ferromagnetic cobalt contacts on the two-dimensional semiconductor WS2
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10.1103/PhysRevB.99.035418 |
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ساخت و بهينه سازي قرص هاي كامپوزيتي نانوفسفر استرانسيوم سولفيد آلاييده با سريم و ساماريوم (SrS-Ce, Sm)، به عنوان آشكارساز تشعشع فضايي
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First-principles insights into ultrashort laser spectroscopy of molecular nitrogen
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10.1016/j.elspec.2018.03.005 |
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First-principles study of MoS2 and MoSe2 nanoclusters in the framework of evolutionary algorithm and density functional theory
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10.1016/j.cplett.2018.03.008 |
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Optical properties of body-centered tetragonal C4 Insights from many-body perturbation and time-dependent density functional theories
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10.1063/1.5001999 |
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Effects of nanostructuring on luminescence properties of SrS CeSm phosphor An experimental and phenomenological study
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10.1016/j.optmat.2017.10.041 |
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Ab-initio investigation of Rb substitution in KTP single crystal
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10.1063/1.5000242 |
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A neural-network potential through charge equilibration for WS2 From clusters to sheets
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10.1063/1.5003904 |
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First-principles insights into role of hydrogen atom in black titania
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10.1016/j.commatsci.2017.07.014 |
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Calculated structural and electronic interactions of the nano dye molecule Ru(4 4COOH2 2bpy) 2 (NCS) 2 (N3) with a iodide/triiodide redox shuttle
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10.1016/j.cap.2017.04.013 |
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Calculated structural and electronic interactions of the nano dye molecule Ru(4 4 -COOH - 2 2 - bpy)2(NCS)2( N3) with a iodide/triiodide redox shuttle
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Stable isomers and electronic vibrational and optical properties of WS2 nano-clusters A first-principles study
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10.1063/1.4968038 |
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