期刊
PHYSICAL REVIEW LETTERS
卷 89, 期 22, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.89.227201
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We present a theory of interstitial Mn in Mn-doped ferromagnetic semiconductors. Using density-functional theory, we show that under the nonequilibrium conditions of growth, interstitial Mn is easily formed near the surface by a simple low-energy adsorption pathway. In GaAs, isolated interstitial Mn is an electron donor, each compensating two substitutional Mn acceptors. Within an impurity-band model, partial compensation promotes ferromagnetic order below the metal-insulator transition, with the highest Curie temperature occurring for 0.5 holes per substitutional Mn.
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