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- Title
First Principles Calculation of Electrical and Optical Properties of Cu<sub>3</sub>AsO<sub>4</sub>: Promising Thin-Film Solar Cell Absorber from Nonferrous Metal Manufacturing By-Products.
- Authors
Issei Suzuki; Sakiko Kawanishi; Naoki Ohashi; Aiga Gomi; Junya Kano; Hiroto Watanabe; Satoshi Asano; Takahisa Omata
- Abstract
The stability and electronic structure of enargite-type Cu3AsO4 were investigated through first principles calculations. Although its synthesis has not been reported to date, the calculations indicate the possibility of synthesis of enargite-type Cu3AsO4. Enargite-type Cu3AsO4 is expected to possess a 11.2- eV band gap and a large optical absorption coefficient comparable to those of absorber materials for thin-film solar cells such as CdTe and GaAs. Enargite-type Cu3AsO4 is also expected to exhibit both p-type and n-type conduction by appropriate impurity doping. This property will enable use of this material in a pn homojunction. In contrast, enargite-type Cu3AsS4 exhibits p-type conduction whereas n-type conduction is not expected. The results of this study indicate that enargite-type Cu3AsO4 is very promising as an absorber material for thin-film solar cells.
- Subjects
ARSENIC trioxide; COPPER; SOLAR cells; AXIOMS; METALS; NONFERROUS alloys
- Publication
Materials Transactions, 2022, Vol 63, Issue 1, p73
- ISSN
1345-9678
- Publication type
Article
- DOI
10.2320/matertrans.M-M2021851