Half-Metallic Behavior of Transition Metal-Doped Chalcopyrite Semiconductor: LDA and SIC-LDA Calculation

Document Type

Article

Publication Date

10-1-2016

Abstract

Using the first principles with local density approximation (LDA) and self-interaction-corrected local density approximation (SIC-LDA), the electronic structure of transition metal-doped copper indium sulfide chalcopyrite (CuInS2) has been calculated and the effect of low-impurity concentration on magnetic structure has been carried out for both LDA and SIC-LDA; also, the magnetic transition temperature for Cr-doped CuInS2 was reported in the concentration range of 1–6 % with LDA and SIC-LDA. It is shown that the chalcopyrite semiconductor-doped transition metals (with low concentration) exhibit a high magnetic critical temperature and half-metallic behavior that could have a significant participation in spintronic applications.

Identifier

84973617974 (Scopus)

Publication Title

Journal of Superconductivity and Novel Magnetism

External Full Text Location

https://doi.org/10.1007/s10948-016-3571-6

e-ISSN

15571947

ISSN

15571939

First Page

2629

Last Page

2634

Issue

10

Volume

29

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