Study on the structural, electronic and optical properties of double-perovskite halides Cs 2 AgSbX 6 (X=I, Br, Cl) based on first-principles
Materials Science in Semiconductor Processing, ISSN: 1369-8001, Vol: 152, Page: 107077
2022
- 40Citations
- 16Captures
- 1Mentions
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Most Recent News
Findings from Guizhou Normal University Update Knowledge of Semiconductor Processing [Study On the Structural, Electronic and Optical Properties of Double-perovskite Halides Cs2agsbx6 (X=i, Br, Cl) Based On First-principles]
2022 DEC 06 (NewsRx) -- By a News Reporter-Staff News Editor at Electronics Daily -- Investigators discuss new findings in Materials Science - Semiconductor Processing.
Article Description
The structural, electronic and optical properties of Cs 2 AgSbX 6 (X = I, Br, Cl) were investigated based on first-principles calculation in this paper. The stability of these materials can be determined by the binding energy, formation energy and two tolerance factors. The results indicate that three materials are indirect band gap, with ideal band gap range of materials for photoelectric applications. The bandgap values of Cs 2 AgSbI 6, Cs 2 AgSbBr 6 and Cs 2 AgSbCl 6 are 0.84 eV, 1.47 eV and 1.87 eV, respectively. Compared with other perovskites, the effective masses of holes of Cs 2 AgSbX 6 are smaller, which is beneficial to the carrier transport and the performance improvement of optoelectronic devices. Moreover, the exploration of optical characteristics reveal the potential utilization of Cs 2 AgSbX 6 in photovoltaic devices. Based on these calculated results, the double-perovskite Cs 2 AgSbX 6 is a potential candidate for photovoltaic applications.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S1369800122006047; http://dx.doi.org/10.1016/j.mssp.2022.107077; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=85137055866&origin=inward; https://linkinghub.elsevier.com/retrieve/pii/S1369800122006047; https://dx.doi.org/10.1016/j.mssp.2022.107077
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