Fe-DOPED Ga12N12 CLUSTERS: ELECTRONIC AND MAGNETIC PROPERTIES-Reference-Cited by-同舟云学术

Fe-DOPED Ga12N12 CLUSTERS: ELECTRONIC AND MAGNETIC PROPERTIES

Published:2013-11-21 Issue:30 Volume:27 Page:1350222
ISSN:0217-9849
Container-title:Modern Physics Letters B
language:en
Short-container-title:Mod. Phys. Lett. B

Author:

LU PENGFEI¹,WU CHENGJIE¹,CONG ZIXIANG²,LI YILUAN¹,ZHANG XIANLONG¹,YU ZHONGYUAN¹,CAO HUAWEI¹

Affiliation:

1. State Key Laboratory of Information Photonics and Optical Communications, Ministry of Education, Beijing University of Posts and Telecommunications, P.O. Box 49, Beijing 100876, China

2. School of Information and Communication Engineering, Beijing University of Posts and Telecommunications, Beijing 100976, China

Abstract

In this paper, we have investigated the structural, electronic and magnetic properties of Ga 12 N 12 cluster doped with monodoped and bidoped Fe atoms within the density functional theory (DFT). Substitutional, exohedral and endohedral doping are considered. It is observed that both monodoped and bidoped clusters tend to be in exohedral doping. Mulliken population analysis is performed to obtain the charge transfer and magnetic moment. The magnetic moment is mainly derived from 3d orbitals of Fe atom for all isomers, while the magnetic properties would rely on the Fe – Fe distance.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

Link

https://www.worldscientific.com/doi/pdf/10.1142/S0217984913502229

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