Electronic and magnetic properties of Fe-doped GaN: first-principle calculations-Reference-Cited by-同舟云学术

Electronic and magnetic properties of Fe-doped GaN: first-principle calculations

Published:2021-01-13 Issue:3 Volume:76 Page:245-251
ISSN:1865-7109
Container-title:Zeitschrift für Naturforschung A
language:en
Short-container-title:

Author:

Abdalla Adam S.¹,Khan Muhammad Sheraz²,Alameen Suliman¹,Eisa Mohamed Hassan³⁴,Aldaghri Osamah⁴

Affiliation:

1. Department of Physics , Faculty of Science, University of Kordofan , El-Obeid 51111 , Sudan

2. Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systems and School of Physics, Beijing Institute of Technology , Beijing 100081 , China

3. Department of Physics , College of Science, Sudan University of Science and Technology , Khartoum 11113 , Sudan

4. Department of Physics , College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU) , Riyadh 11623 , Saudi Arabia

Abstract

Abstract We have systematically studied the effect of Fe co-doped on electronic and magnetic properties of wurtzite gallium nitride (GaN) based on the framework of density functional theory (DFT). It is found that GaN doped with Fe at Ga site is more stable than that at N-site. We calculate the electronic structure of pure and single Fe doped GaN within GGA and GGA + U method and find that Fe doped GaN is a magnetic semiconductor with the total magnetization of 5μ B . The magnetic coupling between Fe spins in Fe-doped GaN is an antiferromagnetic (AFM) under the super-exchange mechanism.

Funder

This is a private work , so no fund received.

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

Link

https://www.degruyter.com/document/doi/10.1515/zna-2020-0211/pdf

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