Hydrogen interstitials-mediated ferromagnetism in MnxGe1−x magnetic semiconductors
نویسندگان
چکیده
Hydrogen interstitials-mediated ferromagnetism in MnxGe1−x magnetic semiconductors was studied by first-principles calculations. It was found that the H:1s state in Mn–H–Mn complexes can strongly hybridize with the valence states of Mn and change the spin polarization of Mn atoms. Although the dopedMn atoms tend to form the nearest-neighborMn atomic pairs with antiferromagnetic coupling in Mn-doped Ge without H, the asymmetrical configurations of Mn–H–Mn complexes show the ferromagnetic (FM) ground state in Mn-doped Ge with H interstitials. Therefore, Mn-doped Ge with H interstitials is predicted to be an FM semiconductor with higher Curie temperature and larger magnetization than Mn-doped Ge without H. 1 Author to whom any correspondence should be addressed. New Journal of Physics 10 (2008) 055015 1367-2630/08/055015+11$30.00 © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft
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