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THEORETICAL CALCULATIONS OF HYPERFINE INTERACTIONS OF TRIVACANCY IN SILICON

## THEORETICAL CALCULATIONS OF HYPERFINE INTERACTIONS OF TRIVACANCY IN SILICON

FAN XI-QING, SHEN SAN-GUO, ZHANG DE-XUAN, REN SHANG-YUAN
• #### Abstract

The deep energy levels and the wavefunctions of V3- in silicon are calculated by using the Koster-Slater Green's function method. Numerical results show that there are five energy levels in the energy gap, i.e., E(A2)=0.417eV, E(B1)=0.492eV, E(B21)=0.512ev, E(A1)=0.532eV, E(B22)=0.608eV. The hyperfine interactions (h.f.) constant associated with these states are calculated. According to the comparison of the theoretical h.f. constant with the experiments, we determine that the B1-state is occupied by the unpaired electron of V3-. The distributed probability of V3- in B1-state on the nearest neighbour atoms is about 60.2%, the major part of which is centered on the two atoms in the plane determined by the trivacancy.

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•  Citation:
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• Abstract views:  2423
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• Received Date:  26 August 1988
• Published Online:  08 July 2005

## THEORETICAL CALCULATIONS OF HYPERFINE INTERACTIONS OF TRIVACANCY IN SILICON

• 1. (1)郑州大学物理系; (2)中国科学技术大学物理系

Abstract: The deep energy levels and the wavefunctions of V3- in silicon are calculated by using the Koster-Slater Green's function method. Numerical results show that there are five energy levels in the energy gap, i.e., E(A2)=0.417eV, E(B1)=0.492eV, E(B21)=0.512ev, E(A1)=0.532eV, E(B22)=0.608eV. The hyperfine interactions (h.f.) constant associated with these states are calculated. According to the comparison of the theoretical h.f. constant with the experiments, we determine that the B1-state is occupied by the unpaired electron of V3-. The distributed probability of V3- in B1-state on the nearest neighbour atoms is about 60.2%, the major part of which is centered on the two atoms in the plane determined by the trivacancy.

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