Electronic and Magnetic Properties of Mn-doped and (Mn,C)-codoped w-AlN with the Presence of N Vacancy

Hassan Ahmoum, Mourad Boughrara, Mohd Sukor Su'ait, Mohamed Kerouad

Research output: Contribution to journalArticle

Abstract

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.

Original languageEnglish
JournalJournal of Superconductivity and Novel Magnetism
DOIs
Publication statusPublished - 1 Jan 2019

Fingerprint

Electronic properties
Vacancies
Magnetic properties
magnetic properties
Nitrogen
electronics
Magnetoelectronics
nitrogen
Density functional theory
Structural properties
wurtzite
Impurities
electromagnetism
density functional theory
impurities
approximation
Diluted magnetic semiconductors

Keywords

  • Electronic structure
  • First-principles study
  • Magnetic properties
  • Mn-C-codoped AlN
  • Nitrogen vacancies

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

Cite this

Electronic and Magnetic Properties of Mn-doped and (Mn,C)-codoped w-AlN with the Presence of N Vacancy. / Ahmoum, Hassan; Boughrara, Mourad; Su'ait, Mohd Sukor; Kerouad, Mohamed.

In: Journal of Superconductivity and Novel Magnetism, 01.01.2019.

Research output: Contribution to journalArticle

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