Magnetism induced by boron impurities in amorphous silicon

作者：Zhu, Y.^*; Du, C. L.; Shi, D. N.; Zhang, K. C.; Ma, C. L.; Gong, S. J.; Yang, Z. Q.

来源：Journal of Applied Physics, 2011, 109(7): 073913.

DOI：10.1063/1.3565051

• INITIO MOLECULAR-DYNAMICS
• TOTAL-ENERGY CALCULATIONS
• WAVE BASIS-SET
• ELECTRONIC-STRUCTURE
• DENSITY
• METALS

With first-principles calculations, magnetism is found in amorphous silicon doped with B impurities. The maximum magnetic moment per impurity atom is predicted to be similar to 1.0 mu(B) which originates mostly from unsaturated bond around three-fold coordinated Si atoms. Stoner criterion is employed to account for the magnetism induced by p-type impurities. The obtained spin polarized energies are around 50 meV, indicating that the magnetism found in amorphous silicon is able to survive even at room temperature.

• 出版日期2011-4-1
• 单位华东师范大学; 苏州科技大学; 渤海大学; 复旦大学; 南京航空航天大学