Hyperfine Coupling Constant of Positive Muon in Silicon

Abstract

The spin-polarized electronic structure around a positive muon ${\mu }^{+}$ at the tetrahedral interstitial site of silicon is calculated by use of the local spin-density functional formalism and the linear combination of atomic orbitals-Green's function method. A paramagnetic solution is obtained for the first time. The reduction of hyperfine coupling constant, $A$, experienced by ${\mu }^{+}$ at absolute zero temperature is calculated to be 0.406 in good agreement with the experimental value of 0.405±0.026 or 0.450±0.020.