Crystal structure of Cu <sub>2</sub> Zn(Ge <sub> <i>x</i> </sub> Si <sub> 1− <i>x</i> </sub> )Se <sub>4</sub> solid solution: the kesterite to wurtz–kesterite structural phase transition
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.
Authors
- Galina Gurieva (ORCID: https://orcid.org/0000-0001-8609-1043)
- Alicia Maria Manjón-Sanz (ORCID: https://orcid.org/0000-0002-7091-3484)
- Daniel M. Többens (ORCID: https://orcid.org/0000-0001-8573-7359)
- Victoria Rotaru (ORCID: https://orcid.org/0000-0002-4229-4479)
- Susan Schorr (ORCID: https://orcid.org/0000-0002-6687-614X)
- Christoph Hennig (ORCID: https://orcid.org/0000-0001-6393-2778)
- Melanie Kirkham (ORCID: https://orcid.org/0000-0001-8411-9751)
- Maxim Guc (ORCID: https://orcid.org/0000-0002-2072-9566)
Institutions
- Oak Ridge National Laboratory (US)
- Helmholtz-Zentrum Berlin für Materialien und Energie (DE)
- Helmholtz-Zentrum Dresden-Rossendorf (DE)
- European Synchrotron Radiation Facility (FR)
- Institut de Recerca en Energia de Catalunya (ES)
- Universitat de Barcelona (ES)
- Freie Universität Berlin (DE)
Publication Details
- Journal
- Journal of Materials Chemistry A
- Published
- 2025-11-28
- DOI
- https://doi.org/10.1039/d5ta06163f
- Primary Topic
- Phase-change materials and chalcogenides
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- U.S. Department of Energy
- European Commission
- European Synchrotron Radiation Facility
- Generalitat de Catalunya
- Helmholtz-Zentrum Dresden-Rossendorf
- Office of Science
- Agència de Gestió d'Ajuts Universitaris i de Recerca
- European Regional Development Fund
- Agencia Estatal de Investigación
- Oak Ridge National Laboratory