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First principles investigation of Be3X2 (X = N, P, As) and their alloys for solar cell applications

文献类型：期刊论文

作者M.Ullah; R.Ali; G.Murtaza; Y.Chen
刊名Journal of Alloys and Compounds
出版日期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
DOI10.1016/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
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.

入库方式： OAI收割

来源：长春光学精密机械与物理研究所

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