Ferromagnetism in (X, Y)-Codoped 4H-GaN Polytype X = Na and Mg, Y = Na and Mg: Ab Initio Study
- Université des Sciences et de la Technologie d’Oran Mohamed Boudiaf (USTO-MB), Département de Physique Energétique, Faculté de Physique (Algeria)
In this work, the magnetic behavior of 4H-GaN polytype codoped with (X = Na and Mg, Y = Na and Mg) is studied by means of first-principle calculations based on spin-density functional theory within the generalized-gradient approximation. It is found that the most stable configuration reveals the smallest cohesion energy and the X–Y bond length is minimal. (X, Y )-codoped 4H-GaN reveals magnetism behavior, and the total magnetic moment comes mainly from the N host atoms. Interestingly, (Na, Na)-codoped 4H-GaN is found to be half-metallic ferromagnetic with a magnetic moment of 4 μ{sub B}. Results show also that (Mg, Na)- and (Na, Mg)-codoped 4H-GaN are found to be nearly half-metallic ferromagnetic with a magnetic moment of 2.96 and 2.97 μ{sub B}, respectively. Whereas (Mg, Mg)-codoped 4H-GaN have a metallic ferromagnetic behavior with a magnetic moment of 1.87 μ{sub B}. The partial density of states denotes that magnetism is achieved through a p-p-like coupling between the impurity X-2p states of X atom, Y-2p states of Y atom, and N-2p states of N host atoms. These theoretical results make Na–Na-codoped 4H-GaN very promising materials for spintronic technology.
- OSTI ID:
- 22919610
- Journal Information:
- Journal of Superconductivity and Novel Magnetism, Journal Name: Journal of Superconductivity and Novel Magnetism Journal Issue: 2 Vol. 32; ISSN 1557-1939
- Country of Publication:
- United States
- Language:
- English
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