Experimental and Theoretical Study of Stable and Metastable Phases in Sputtered CuInS₂.

ABSTRACT: The chalcopyrite Cu(In,Ga)S₂ has gained renewed interest in recent years due to the potential application in tandem solar cells. In this contribution, a combined theoretical and experimental approach is applied to investigate stable and metastable phases forming in CuInS₂ (CIS) thin films. Ab initio calculations are performed to obtain formation energies, X-ray diffraction (XRD) patterns, and Raman spectra of CIS polytypes and related compounds. Multiple CIS structures with zinc-blende and wurtzite-derived lattices are identified and their XRD/Raman patterns are shown to contain overlapping features, which could lead to misidentification. Thin films with compositions from Cu-rich to Cu-poor are synthesized via a two-step approach based on sputtering from binary target

SUBMITTER: Larsen JK 

PROVIDER: S-EPMC9376846 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature