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

  • Adam S. Abdalla , Muhammad Sheraz Khan , Suliman Alameen , Mohamed Hassan Eisa und Osamah Aldaghri
Veröffentlicht/Copyright: 13. Januar 2021

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 5μB. The magnetic coupling between Fe spins in Fe-doped GaN is an antiferromagnetic (AFM) under the super-exchange mechanism.


Corresponding author: Mohamed Hassan Eisa, Department of Physics, College of Science, Sudan University of Science and Technology, Khartoum11113, Sudan; and Department of Physics, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh11623, Saudi Arabia, E-mail:

Funding source: This is a private work , so no fund received.

  1. Author contribution: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Received: 2020-07-29
Accepted: 2020-12-08
Published Online: 2021-01-13
Published in Print: 2021-03-26

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