A DFT study of the electronic, optical and topological properties of free and biaxially strained CuIn 1−x Al x Se 2

Among the CuIn 1−x Al x Se 2 alloys, that with x = 0.25 is the optimal one in terms of band gap and conversion efficiency. Its absorption coefficient is highly modified under biaxial strains that occur in thin films.

Keywords

DFT CuIn1-xAlxSe2 Optical properties Electron density topological properties Biaxial strain

Domains

Material chemistry

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JMCC-2019-PPJ-HAL.pdf (8.12 Mo)

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https://amu.hal.science/hal-03563262

Submitted on : Wednesday, February 9, 2022-3:37:07 PM

Last modification on : Monday, June 10, 2024-4:58:03 PM

Long-term archiving on : Tuesday, May 10, 2022-6:57:22 PM

Dates and versions

hal-03563262 , version 1 (09-02-2022)

Identifiers

HAL Id : hal-03563262 , version 1
DOI : 10.1039/c9tc00277d

Cite

Pingping Jiang, P. Boulet, Marie-Christine Record. A DFT study of the electronic, optical and topological properties of free and biaxially strained CuIn 1−x Al x Se 2. Journal of Materials Chemistry C, 2019, 7 (19), pp.5803-5815. ⟨10.1039/c9tc00277d⟩. ⟨hal-03563262⟩

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