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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Detalles Bibliográficos
Publicado en:	Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences Vol. 76; no. 3; pp. 245 - 252
Autores principales:	Abdalla, Adam S., Khan, Muhammad Sheraz, Alameen, Suliman, Eisa, Mohamed Hassan, Aldaghri, Osamah
Formato:	Artículo
Publicado:	De Gruyter Mar2021
Materias:	Generative adversarial networks Magnetic properties Magnetic semiconductors Gallium nitride Density functional theory Electronic structure
Acceso en línea:	Ver este registro en EBSCOhost

Descripción
Sumario:	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.