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Title: Ferromagnetic ordering of Cr and Fe doped p-type diamond: An ab initio study

Ferromagnetic ordering of transition metal dopants in semiconductors holds the prospect of combining the capabilities of semiconductors and magnetic systems in single hybrid devices for spintronic applications. Various semiconductors have so far been considered for spintronic applications, but low Curie temperatures have hindered room temperature applications. We report ab initio DFT calculations on the stability and magnetic properties of Fe and Cr impurities in diamond, and show that their ground state magnetic ordering and stabilization energies depend strongly on the charge state and type of co-doping. We predict that divacancy Cr{sup +2} and substitutional Fe{sup +1} order ferromagnetically in p-type diamond, with magnetic stabilization energies (and magnetic moment per impurity ion) of 16.9 meV (2.5 μ{sub B}) and 33.3 meV (1.0 μ{sub B}), respectively. These magnetic stabilization energies are much larger than what has been achieved in other semiconductors at comparable impurity concentrations, including the archetypal dilute magnetic semiconductor GaAs:Mn. In addition, substitutional Fe{sup +1} exhibits a strong half-metallic character, with the Fermi level crossing bands in only the spin down channel. These results, combined with diamond’s extreme properties, demonstrate that Cr or Fe dopedp-type diamond may successfully be considered in the search for room temperature spintronic materials.
Authors:
 [1] ;  [2]
  1. Department of Physics, University of South Africa, P.O Box 392, UNISA 0003, Pretoria (South Africa)
  2. College of Graduate Studies, University of South Africa, P.O Box 392, UNISA 0003, Pretoria (South Africa)
Publication Date:
OSTI Identifier:
22263725
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1583; Journal Issue: 1; Conference: ICDS-2013: 27. international conference on defects in semiconductors, Bologna (Italy), 21-26 Jul 2013; 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; CHARGE STATES; CHROMIUM IONS; COMPARATIVE EVALUATIONS; CURIE POINT; DIAMONDS; DOPED MATERIALS; FERMI LEVEL; GALLIUM ARSENIDES; GROUND STATES; HYBRIDIZATION; IMPURITIES; IRON IONS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; MAGNETIZATION; STABILIZATION; TRANSITION ELEMENTS