Electronic and optical properties of potential solar absorber Cu3PSe4

被引：26

作者：

Foster, D. H. ^{[1
]}

Jieratum, V. ^{[2
]}

Kykyneshi, R. ^{[2
]}

Keszler, D. A. ^{[2
]}

Schneider, G. ^{[1
]}

机构：

[1] Oregon State Univ, Dept Phys, Corvallis, OR 97331 USA

[2] Oregon State Univ, Dept Chem, Corvallis, OR 97331 USA

来源：

APPLIED PHYSICS LETTERS | 2011年 / 99卷 / 18期

基金：

美国国家科学基金会;

关键词：

APPROXIMATION; REFINEMENT; SOLIDS;

D O I：

10.1063/1.3656760

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We theoretically investigate the electronic and optical properties of semiconductor Cu3PSe4. We also report diffuse reflectance spectroscopy measurements for Cu3PSe4 and Cu3PS4, which indicate a band gap of 1.40 eV for the former. Ab initio density functional theory (DFT) calculations based on hybrid functionals agree well with this value and reveal that the band gap is direct. Calculations yield an optical absorption spectrum similar to GaAs in the visible region, with alpha > 5 x 10(4) cm(-1) for lambda < 630 nm. We conclude that the optical properties of Cu3PSe4 are within the desired range for a photovoltaic solar absorber material. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3656760]

引用

页数：3

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