Ahmoum, H. and Boughrara, M. and Su’ait, M.S. and Kerouad, M. (2019) Electronic and Magnetic Properties of Mn-doped and (Mn,C)-codoped w-AlN with the Presence of N Vacancy. Journal of Superconductivity and Novel Magnetism, 32 (11). pp. 3691-3697.

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In this paper, we discover the structural, electronic, and magnetic properties of Mn-doped (6.25 and 12.5) and Mn-C-codoped wurtzite AlN with the presence of nitrogen vacancy. These properties have been investigated using density functional theory implemented in Quantum ESPRESSO package. AlN doped and codoped were optimized by using Broyden-Fletcher-Goldfarb-Shanno (BFGS) approximation. The electronic and magnetic properties are determined by the total and partial density of states. The presence of impurities and nitrogen vacancy induces magnetic properties, indicating that these materials are good candidates for electromagnetic and spintronics applications. Our results are in good agreement with experimental and other theoretical studies. We can conclude from this study that this material can be used as diluted magnetic semiconductors. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.

Item Type: Article
Uncontrolled Keywords: Aluminum nitride; Density functional theory; Electronic structure; III-V semiconductors; Impurities; Magnetic properties; Magnetic semiconductors; Magnetism; Nitrogen; Nonlinear programming; Wide band gap semiconductors; Zinc sulfide, Broyden-Fletcher-Goldfarb-Shanno; Co-doped; Electronic and magnetic properties; First-principles study; Nitrogen vacancies; Partial density of state; Spintronics application; Theoretical study, Manganese compounds
Subjects: Materials Science
Divisions: SCIENTIFIC PRODUCTION > Materials Science
Depositing User: Administrateur Eprints Administrateur Eprints
Last Modified: 31 Jan 2020 15:48
URI: http://eprints.umi.ac.ma/id/eprint/3619

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