Crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites

Crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites

The crystal structure, mechanical, electronic, optical and thermoelectric characteristics of Cs2MCl6 (M = Se, Sn, Te and Ti) cubic double perovskites are studied within GGA, GGA-mBJ and EV-GGA functionals. The M − Cl bond lengths are shorter and especially in Cs2TiCl6 double perovskite, which reflec...

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Bibliographic Details
Main Authors: K. Bouferrache, M.A. Ghebouli, B. Ghebouli, Mohamed A. Habila, T. Chihi, M. Fatmi, A. Djemli, Mika Sillanpaa
Format: Article
Language:English
Published: Elsevier 2024-01-01
Series:Results in Physics
Subjects:
Crystal structure
Electronic characteristics
Cs2MCl6
Cubic double perovskites
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379723009312

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http://www.sciencedirect.com/science/article/pii/S2211379723009312

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