会议论文

1 First-principles study on electronic structure and photoelectric properties of zinc blende In x Ga1- x N with different in doping concentrations [会议论文]

作者:Tang, Z.M.^1;Liu, J.H.^1;Liu, Y.L.^1;等

关键词:Band-gap semiconductors;Doping concentration;...

会议举办机构:Guangxi Key Laboratory of Processing for Non-ferrous Metallic and Featured Materials, School of Resources, Environment and Materials, Guangxi University, Nanning

会议时间:2019

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2 First-principles study on the formation energies of Ga1_xCrxAs [会议论文]

作者:Martinez, N.^1,2, Rodriguez Martinez, J.A.^1

关键词:Computational codes;Exchange and correlation;...

会议举办机构:Universidad Nacional de Colombia, Bogotá, Colombia^1

会议时间:2016

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3 Electronic and Piezoelectric properties of half-Heusler compounds: A first principles study [会议论文]

作者:Rai, D.P.^1;Sandeep^2;Shankar, A.^3;等

关键词:First-principles study;Generalized gradient approximations;...

会议举办机构:Department of Physics, Pachhunga University College, Aizawl

会议时间:2016

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4 First-principles study of migration mechanisms and diffusion of carbon in GaN [会议论文]

作者:Kyrtsos, Alexandros^1, Matsubara, Masahiko^2, Bellotti, Enrico^1,2

关键词:Diffusion of carbons;First-principles calculation;...

会议举办机构:Division of Materials Science and Engineering, Boston University, 15 St Mary's, Boston, United States^1

会议时间:2015

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5 First-principles study of phonon effects in x-ray absorption near-edge structure spectroscopy [会议论文]

作者:Nemausat, R.^1,2;Brouder, Ch.^1;Gervais, Ch.^2;等

关键词:Born-Oppenheimer approximation;First principles;...

会议举办机构:Sorbonne Universités, UPMC Univ Paris 06, IMPMC, UMR CNRS 7590, 4 place Jussieu, Paris

会议时间:

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6 Interaction of CO with an hBN surface doped with Ti and Pt: A First Principles Study [会议论文]

作者:Ramirez-De-Arellano, J.M.^1, Magana-Solis, L.F.^2

关键词:Ab initio calculations;Catalytic effects;...

会议举办机构:Tecnologico de Monterrey, Campus Ciudad de Mexico, Calle del Puente 222, Distrito Federal

会议时间:2017

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