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Title: Magnetic properties of transition metal doped AlN nanosheet: First-principle studies

We carry out our first-principles calculations within density functional theory to study the 3d transition metal (TM) doped AlN nanosheets. The calculated results indicate that a stoichiometric AlN nanosheet is graphene-like structure and nonmagnetic. The TM impurities can induce magnetic moments, localized mainly on the 3d TM atoms and neighboring N atoms. Our calculated results of TM-doped nanosheet systems indicate a strong interaction between 3d orbit of TM atom and the 2p orbit of N atoms. In addition, the Mn- and Ni-doped AlN nanosheet with half-metal characters seems to be good candidates for spintronic applications. When substituting two Al atoms, the relative energies of the states between ferromagnetic and antiferromagnetic coupling are investigated sufficiently. The exchange coupling of Co- and Ni-doped AlN nanosheets exhibits a transformation with different distances of two TM atoms and that of Cr-, Mn-, and Fe-doped AlN nanosheets is not changed.
Authors:
; ; ; ;  [1]
  1. School of Physics, State Key Laboratory for Crystal Materials, Shandong University, Jinan 250100 (China)
Publication Date:
OSTI Identifier:
22278130
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Applied Physics; Journal Volume: 115; Journal Issue: 5; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 77 NANOSCIENCE AND NANOTECHNOLOGY; ALUMINIUM NITRIDES; ANTIFERROMAGNETISM; ATOMS; CHROMIUM; COUPLING; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GRAPHENE; IRON; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MANGANESE; NANOSTRUCTURES; ORBITS; SHEETS