Journal
PHYSICA B-CONDENSED MATTER
Volume 407, Issue 12, Pages 2347-2350Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physb.2012.03.035
Keywords
Diluted magnetic semiconductors; First-principles; Diamond
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Funding
- Chinese Academy of Sciences
- National Science Fund for Distinguished Young Scholar [60925016]
- special funds for Major State Basic Research [069c031001]
- National Natural Science Foundation [60521001]
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Using first-principles calculations, we investigated the electronic and magnetic properties of Mn-doped, Fe-doped, and Co-doped diamond. It is found that the Mn-, Fe-, and Co-doped diamond are stabilized in ferromagnetic configurations. The origins of the magnetic ordering are explained successfully by the phenomenological band coupling model based on the p-d and d-d level repulsions between the dopant ions and host elements. According to Heisenberg model, high Curie temperature may be expected for Mn-, Fe-, and Co-doped diamond if there are no native defects or other impurities. (C) 2012 Elsevier B.V. All rights reserved.
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