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High-Pressure Behavior and Disorder for Ag(2)ZnSnS(4) and Ag(2)CdSnS(4)

[Image: see text] We carried out first-principles calculations to simulate Ag(2)ZnSnS(4) and Ag(2)CdSnS(4) and calculated enthalpies of different plausible structural models (kesterite-type, stannite-type, wurtzkesterite-type, wurtzstannite-type, and GeSb-type) to identify low- and high-pressure pha...

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Detalles Bibliográficos
Autores principales:	Küllmey, Tim, Hein, Jakob, Heppke, Eva M., Efthimiopoulos, Ilias, Paulus, Beate
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2021
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8529692/ https://www.ncbi.nlm.nih.gov/pubmed/34693159 http://dx.doi.org/10.1021/acsomega.1c04290

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