First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications | |
M.Ullah; R.Ali; G.Murtaza; Y.Chen | |
刊名 | Journal of Alloys and Compounds
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2019 | |
卷号 | 795页码:385-390 |
关键词 | Beryllium nitride alloys,Optical spectra,Device absorption,efficiencies,thermoelectric properties,structural-properties,electronic-structure,halide perovskites,optical-properties,crystal-structure,alpha-be3n2,Chemistry,Materials Science,Metallurgy & Metallurgical Engineering |
ISSN号 | 0925-8388 |
DOI | 10.1016/j.jallcom.2019.05.017 |
英文摘要 | The ground state electronic structure and absorption efficiency of alpha-Be3X2 (X = N, P or As) and their alloys are investigated using density functional theory. All pristine compounds and alloys are found to have direct band gaps at the zone center Gamma point. The Be24PxN16-x and Be24AsxN16-x alloys (x = 4,8,12, or 16) are predicted to have suitable band gaps for solar absorber applications. The majority interband electronic transitions in the pristine compounds and the alloys are between the valence band p-states of N, P and As and the conduction band p-states of Be. The alloy systems show strong and wide absorption spectra, suggesting potential solar energy conversion applications. (C) 2019 Elsevier B.V. All rights reserved. |
语种 | 英语 |
内容类型 | 期刊论文 |
源URL | [http://ir.ciomp.ac.cn/handle/181722/63031] ![]() |
专题 | 中国科学院长春光学精密机械与物理研究所 |
推荐引用方式 GB/T 7714 | M.Ullah,R.Ali,G.Murtaza,et al. First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications[J]. Journal of Alloys and Compounds,2019,795:385-390. |
APA | M.Ullah,R.Ali,G.Murtaza,&Y.Chen.(2019).First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications.Journal of Alloys and Compounds,795,385-390. |
MLA | M.Ullah,et al."First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications".Journal of Alloys and Compounds 795(2019):385-390. |
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