Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

Feng J; Xiao B; Chen JCZhou CTDu YPZhou R

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Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

机译：Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

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AgCuO2 and Ag2Cu2O3 are new types of semiconductor materials. A theoretical study is presented for both the electronic and optical properties of these new photovoltaic materials in the framework of density functional theory (DFT). The calculated cohesive energy is -3.606 eV/atom and -3.723 eV/atom for Ag2Cu2O3 and AgCuO2, respectively. Electronic calculations indicate that AgCuO2 is a small band gap semiconductor and Ag2Cu2O3 is metallic in nature. The valency state of Cu is divalent in Ag2Cu2O3 and trivalent in AgCuO2. The largest absorption coefficient of CuO2 is 332 244, which is significantly greater than that of CuInSe2, CdTe, GaAs, etc.

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来源
《Solid State Communications》 |2009年第38期|1569-1573|共5页
作者
Feng J; Xiao B; Chen JCZhou CTDu YPZhou R;
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作者单位

Kunming Univ Sci & Technol, Key Lab Adv Mat Yunnan Prov, Kunming 650093, Peoples R China.;

Xi An Jiao Tong Univ, Sch Mat Sci & Engn, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China.;

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原文格式 PDF
正文语种英语
中图分类固体物理学;
关键词
Semiconductors; Crystal structure and symmetry; Electronic band; structure; Optical properties;

Optical properties of new photovoltaic materials: AgCuO2 and Ag2Cu2O3

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