Static and dynamic components of Debye-Waller coefficients in the novel cubic polymorph of low-temperature disordered Cu₂ZnSnS₄.

ABSTRACT: Cu₂ZnSnS₄ (CZTS) is an attractive material for sustainable photovoltaics and thermoelectrics, and several properties originate from its marked polymorphism. High-energy mechanical alloying is found to lead to a disordered phase that possesses a sphalerite-like cubic structure. This is investigated in detail with the aid of laboratory and synchrotron radiation X-ray diffraction, Raman spectroscopy, electron microscopy and ab initio molecular dynamics. The disordered cubic polymorph is preserved below 663 K. With thermal treatments above 663 K, the tetragonal kesterite phase forms, used here as a reference for structural and microstructural features. Particular attention is paid to the stacking arrangement: a significant fraction of twin faults was found in the d

SUBMITTER: Isotta E 

PROVIDER: S-EPMC8895019 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature