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Study of the Electronic Structure and Optical Properties of Rare Earth Luminescent Materials: 《Journal of Materials Science and Chemical Engineering》2023年第10期8-18,共11页Chengxi Zhang; Rare earth luminescent materials have attracted significant attention due to their wide-ranging applications in the field of optoelectronics. This study aims to delve into the electronic structure and optical properti...; 关键词：Rare Earth Luminescent Materials Electronic Structure Optical Properties Luminescence Mechanism Prospects for Applications

Effect of warpage on the electronic structure and optical properties of bilayer germanene: 《Journal of Semiconductors》2022年第12期39-45,共7页Qihang Xiong Weifu Cen Xingtong Wu Cong Chen; supported by the Science and Technology Foundation of Guizhou Province,China(Nos.1Y[2020]200,1Y[2020]205);the Youth Science and Technology Talents Growth Fund Program of the Ministry of Education Province,China(Nos.KY[2021]105,KY[2021]103).; The electronic structure and optical properties of bilayer germanene under different warpages are studied by the first-principles method of density functional theory.The effects of warpages on the electronic structure...; 关键词：bilayer germanene warpages electronic structure optical properties FIRST-PRINCIPLES

Electronic structure and optical properties of non-metallic modified graphene:a first-principles study被引量：1: 《Communications in Theoretical Physics》2022年第3期70-76,共7页Jing-tao Huang Yong Liu Zhong-hong Lai Jin Hu Fei Zhou Jing-chuan Zhu; supported by the China Postdoctoral Science Foundation(No.2019M651281)。; In this paper,the electronic structure and stability of the intrinsic,B-,N-,Si-,S-doped graphene are studied based on first-principles calculations of density functional theory.Firstly,the intrinsic,B-,N-,Si-,S-doped ...; 关键词：GRAPHENE Non-metallic Electronic structure Optical properties Density functional theory

First-principles study on the mechanics, optical, and phonon properties of carbon chains: 《Chinese Physics B》2018年第11期559-567,共9页Jin-Ping Li Song-He Meng Han-Tao Lu Takami Tohyama; Project supported by the National Natural Science Foundation of China(Grant No.11672087);the Strategic Programs for Innovative Research(SPIRE);the Computational Materials Science Initiative(CMSI);the Yukawa International Program for Quark-Hadron Sciences at YITP,Kyoto University,Japan; Besides graphite,diamond,graphene,carbon nanotubes,and fullerenes,there is another allotrope of carbon,carbyne,existing in the form of a one-dimensional chain of carbon atoms.It has been theoretically predicted that c...; 关键词：CARBYNE first-principles calculation electronic structure physical properties

Electronic Structure and Optical Properties of K2Ti6O13 Doped with Transition Metal Fe or Ag被引量：1: 《Chinese Journal of Chemical Physics》2018年第3期318-324,368,共8页Heng-li Chen Hong-yan Lu Yu-min Qi Peng Jin; Based on the experimental study of the optical properties of K2Ti6O13 doped with Fe or Ag,their electronic structures and optical properties are studied by the first-principles method based on the density functional t...; 关键词：FIRST-PRINCIPLES DOPING ELECTRONIC structures OPTICAL properties

Density functional theory analysis of electronic structure and optical properties of La-doped Cd_2SnO_4 transparent conducting oxide: 《Chinese Physics B》2018年第1期486-491,共6页汤梅尚家香张跃; The electronic structural, effective masses of carriers, and optical properties of pure and La-doped Cd2SnO4 are calculated by using the first-principles method based on the density functional theory. Using the GGA＋U...; 关键词：transparent conducting oxides electronic band structure first-principle calculations optical prop-erties

First-Principles Study of Electronic Structure and Optical Properties of Silicon/Carbon Nanotube: 《Computational Chemistry》2017年第4期159-171,共13页Wenyu Wang Jiangang Xu Yunguang Zhang Guixia Li; A supercell of a nanotube formed by a carbon nanotube (CNT) and a silicon nanotube (SiNT) is established. The electronic structure and optical properties are implemented through the first-principles method based on th...; 关键词：NANOTUBES ELECTRONIC Structure OPTICAL Properties FIRST-PRINCIPLES

Electronic structure and optical properties of the scintillation material wurtzite ZnS(Ag): 《Nuclear Science and Techniques》2017年第3期35-41,共7页Dong-Yang Jiang Zheng Zhang Rui-Xue Liang Zhi-Hong Zhang Yang Li Qiang Zhao Xiao-Ping Ouyang; supported by the National Natural Science Foundation of China(Nos.11275071 and 11305061);the Fundamental Research Funds for the Central Universities(Nos.2014MS53 and 2014ZZD09);the Student’s Platform for Innovation and Entrepreneurship Training Program of North China Electric Power University(No.15129); In order to investigate the effect of Ag doping(ZnS(Ag)) and Zn vacancy(V_(Zn)) on the alpha particle detection performance of wurtzite(WZ) ZnS as a scintillation cell component, the electronic structure and optical p...; 关键词：WURTZITE ZNS ELECTRONIC structure OPTICAL properties FIRST-PRINCIPLE

Electronic structure and optical properties of plutonium dioxide from first-principles calculations被引量：1: 《Rare Metals》2016年第8期643-648,共6页Jun Chen Da-qiao Meng Qiu-Yun Chen Wen-Hua Luo; financially supported by the National Natural Science Foundation of China(No.91026016);the National Defense Science and Technology Key Laboratory Foundation(No.9140C660503120C66244);the Foundations for Cultivating Academic Leaders of Sichuan Province(No.SXS201301).; The electronic structure and optical properties of plutonium dioxide were calculated using the generalized gradient approximation with a Hubbard parameter U （GGA ＋ U） for considering the strong coulomb correlation ...; 关键词：PuO2 Generalized gradientapproximation ＋ U Electronic structure Optical properties

Electronic structure and optical properties of F-doped β-Ga_2O_3 from first principles calculations被引量：2: 《Journal of Semiconductors》2016年第4期17-23,共7页闫金良曲崇; Project supported by the Innovation Project of Shandong Graduate Education,China(No.SDYY13093);the National Natural Science Foundation of China(No.10974077); The effects of F-doping concentration on geometric structure, electronic structure and optical property of β-GaOwere investigated. All F-doped β-GaOwith different concentrations are easy to be formed under Ga-rich c...; 关键词：semiconductor electronic structure optical property F-doped β-Ga_2O_3

ELECTRONIC_STRUCTURE