Electronic and Magnetic Properties of Diluted Ferromagnetic Semi Conductor Li (Zn, Mn) P from First-Principles Calculations

L.Hua

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International Journal of Advanced Research in Physical Science

Volume 4, Issue 4, 2017, Page No: 16-22

Electronic and Magnetic Properties of Diluted Ferromagnetic Semi Conductor Li (Zn, Mn) P from First-Principles Calculations

L.Hua

"Byuon Space Energy Corporation" LLC, 353900, Krasnodarskiy region, Novorossiysk town, Engelsa 80.

Citation :L.Hua, Electronic and Magnetic Properties of Diluted Ferromagnetic Semi Conductor Li (Zn, Mn) P from First-Principles Calculations International Journal of Advanced Research in Physical Science 2017,4(4) : 16-22

Abstract

We have investigated the electronic structure and magnetic properties of Mn-doped LiZnP using density functional theory within the generalized gradient approximation (GGA) +U schemes. We have shown that the ground state magnetic structure of Mn-doped LiZnP is anti ferro magnetic. LiZn is the most plausible acceptor among several candidates for p-type doping and hole-mediated Zener'sp-d exchange are responsible for the origin of the Li (Zn,Mn) P ferromagnetism

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