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Hyperfine interactions of muonium and hydrogen in silicon and diamond: Quantum chemical calculations |
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| Authors: | V A Gordeev Yv V Gorelkinskii N N Nevinnyi R B Gelfand S A Kuten A V Mudry A L Pushkarchuk V I Rapoport A G Ulyashin |
| Institution: | (1) Leningrad Nuclear Physics Institute, the USSR Academy of Sciences, Gatchina, USSR;(2) Institute of High Energy Physics of the KazSSR Academy of Sciences, Alma Ata, USSR;(3) Institute of Nuclear Problems, Byelorussian State University, Minsk, USSR |
| Abstract: | The electronic structure of a hydrogen-like atom located at interstitial sites of the silicon and diamond crystals is calculated by the intermediate neglect of differential overlap (INDO) method. Calculations of the electronic g- and hyperfine interaction tensors of the impurity atom are performed. The results obtained are compared with the experimental properties of both “anomalous” muonium and hydrogen centers. It is shown that the most likely model for these centers in silicon and diamond is that in which interstitial neutral hydrogen-like atom locates at the bond-center site. |
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