Electronic and magnetic properties in Mn-doped IIIA-nitride monolayers

Electronic and magnetic properties in Mn-doped IIIA-nitride monolayers

Based on first‐principles calculations plus Hubbard U, we have studied the electronic structure and magnetic properties of Mn‐doped IIIA‐nitride monolayers. The substitution of Mn for Al or Ga atom induces a total magnetic moment of 4.00 µB per dopant, independent of the choice of functional. The do...

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Veröffentlicht in:Physica Status Solidi. B: Basic Solid State Physics 2016-10, Vol.253 (10), p.2001-2008
Hauptverfasser: Xiao, Wen-Zhi, Meng, Bo, Xu, Hai-Qing, Chen, Qiao, Wang, Ling-Ling
Format: Artikel
Sprache:eng
Schlagworte:
Aluminum nitride
computational physics
density-functional theory
electronic structure
Electronics
Gallium
Gallium nitrides
IIIA-nitrides
Magnetic properties
Magnetic semiconductors
Monolayers
Nanostructure
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Zusammenfassung:Based on first‐principles calculations plus Hubbard U, we have studied the electronic structure and magnetic properties of Mn‐doped IIIA‐nitride monolayers. The substitution of Mn for Al or Ga atom induces a total magnetic moment of 4.00 µB per dopant, independent of the choice of functional. The doped AlN system is half‐metallic at GGA + U (
ISSN:0370-1972
1521-3951
DOI:10.1002/pssb.201552761