Abstract
Using the first-principles Hartree-Fock Cluster procedure employed earlier for normal muonium (Mu) in diamond, the total energy and hyperfine field at the muon site in silicon have been studied as a function of muon position along the <111> direction. The muon was found to be localized in the tetrahedral interstitial region, although the potential was significantly shallower as compared to diamond. The vibrationally averaged hyperfine constant for the muon shows a correct trend compared to diamond but is somewhat larger than experiment, possible reasons for which will be discussed. Results for the superhyperfine constants in silicon will be presented and compared with those for diamond.
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Sahoo, N., Mishra, K.C. & Das, T.P. Hartree-Fock cluster investigation of location and hyperfine properties of normal muonium in silicon-trend with respect to diamond. Hyperfine Interact 32, 601–606 (1986). https://doi.org/10.1007/BF02394962
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DOI: https://doi.org/10.1007/BF02394962