Journal
PHYSICAL REVIEW B
Volume 81, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.125211
Keywords
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Funding
- Singapore National Research Foundation [NRF-G-CRP 2007-05]
- National Basic Research Program of China (973 program) [2007CB613302]
- National Natural Science Foundation of China [10774091]
- Natural Science Foundation of Shandong Province [Y2007A18]
- Specialized Research Fund for the Doctoral Program of Higher Education [20060422023]
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By first-principles electronic structure calculations on carbon and nitrogen doped II-VI and III-V semiconductors, we demonstrate that substitutional doping at anion site by 2p light elements results in spontaneous spin polarization. However, to have a stable magnetic ground state, the 2p orbitals of the dopant must be sufficiently localized in the energy gap of the host semiconductors. The spin magnetic moment is sensitive to the relative strength of electronegativities of the dopant and the anion in the host semiconductor. Dopants with weaker electronegativity than anion in the host semiconductor should be used to produce magnetic semiconductor by anion substitutional doping with 2p light elements.
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