Half-metallic ferromagnetic features of V-doped Cu2O alloys: TB-mBJ and DFT + U insights

Half-metallic ferromagnetic features of V-doped Cu2O alloys: TB-mBJ and DFT + U insights

The goal of this study is based on the determination of the half-metallic ferromagnetic features of V-doped Cu2O alloys (Cu2(1-x)V2xO (x = 0, 0.25, 0.50, 0.75 and 1)) using both GGA + U and TB-mBJ-GGA approximations (GGA: the generalized gradient approximation) within the accurate full potential lin...

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Bibliographic Details
Main Authors: Mohammed El Amine Monir, Hadj Baltach, Ibtisam F. Al-Maaitah, A.F. Al-Maaitah, M.A. Ghebouli, M. Fatmi, Munirah D. Albaqami, Saikh Mohammad, Mourad Debbichi, Mika Sillanpää
Format: Article
Language:English
Published: Elsevier 2024-02-01
Series:Results in Physics
Subjects:
Cu2(1-x)V2xO alloys
Structural properties
Electronic properties
Half-metallic ferromagnetism
GGA + U
TB-mBJ-GGA
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724000500

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