Crystal structure of Cu ₂ Zn(Ge x Si 1− x )Se ₄ solid solution: the kesterite to wurtz–kesterite structural phase transition

Galina Gurieva; Daniel M. Többens; Susan Schorr

doi:10.1039/d5ta06163f

January 1, 2025Journal of Materials Chemistry AOpen Access

Crystal structure of Cu ₂ Zn(Ge x Si 1− x )Se ₄ solid solution: the kesterite to wurtz–kesterite structural phase transition

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Key Points

Phase transition occurs from tetragonal kesterite to monoclinic wurtz–kesterite based on composition changes.
Key observation includes phase coexistence occurring at x = 0.45–0.55 within the solid solution.
Band gaps in the solid solution range between 1.31 to 2.22 eV across varying compositions.
This structural phase transition may have implications for the material properties and applications in electronics.

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Implication

Observational analysis reveals band gaps from 1.31 to 2.22 eV in Cu2Zn(Ge x Si 1−x)Se4, indicating a distortion-driven phase transition between kesterite and wurtz-kesterite.

Abstract

Cu 2 Zn(Ge x Si 1− x )Se 4 exhibits a distortion-driven phase transition from tetragonal kesterite ( I 4̄) to monoclinic wurtz–kesterite ( Pn ), with phase coexistence at x = 0.45–0.55 and band gaps ranging from 1.31 to 2.22 eV.

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Gurieva et al. (2025) studied this question.

synapsesocial.com/papers/692e3d796c9b3ab28c187096 https://doi.org/10.1039/d5ta06163f

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Crystal structure of Cu ₂ Zn(Ge x Si 1− x )Se ₄ solid solution: the kesterite to wurtz–kesterite structural phase transition

Key Points

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Implication

Abstract

Discussion

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Crystal structure of Cu ₂ Zn(Ge x Si 1− x )Se ₄ solid solution: the kesterite to wurtz–kesterite structural phase transition

Key Points

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Implication

Abstract

Discussion

Cite This Study

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