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

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 st...

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Published in:Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 76; no. 3; pp. 245 - 252
Main Authors: Abdalla, Adam S., Khan, Muhammad Sheraz, Alameen, Suliman, Eisa, Mohamed Hassan, Aldaghri, Osamah
Format: Article
Published: De Gruyter Mar2021
Subjects:
Generative adversarial networks
Magnetic properties
Magnetic semiconductors
Gallium nitride
Density functional theory
Electronic structure
Online Access:View this record in EBSCOhost
Summary: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. The magnetic coupling between Fe spins in Fe-doped GaN is an antiferromagnetic (AFM) under the super-exchange mechanism.