First principles study on the structural, magnetic and electronic properties of Te-doped BiF3

Article ID	Journal	Published Year	Pages	File Type
7962012	Computational Materials Science	2012	5 Pages	PDF

Abstract

âº The lattice constant of TexBi1âxF3 decreases with increasing Te concentration. âº Te doping BiF3 become easier and easier with increasing Te concentration. âº The conductivity of BiF3 can be improved significantly by Te doping.

Keywords

First-principles calculations Half metallic Conductivity

Related Topics

Physical Sciences and Engineering Engineering Computational Mechanics

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First principles study on the structural, magnetic and electronic properties of Te-doped BiF3

Authors

Zhenhua Yang, Xianyou Wang, Yong Pei, Li Liu, Xuping Su,