Exploring Exemplary Optoelectronic and Charge Transport Properties of KCuX(X=Se,Te)

Abstract We report the electronic structure, optical and charge transport properties of the unexplored ternary Zintl phases KCuX(X=Se,Te) from the first principles calculations employing the full-potential linearized augmented plane-wave (FLAPW) method with the Tran Blaha modified Becke-Johnson (TBm...

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Bibliographic Details
Main Authors: Atahar Parveen, G. Vaitheeswaran
Format: Article
Language:English
Published: Nature Publishing Group 2018-08-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-018-31300-0