Electronic Resource
Springer
Hyperfine interactions
32 (1986), S. 613-617
ISSN:
1572-9540
Source:
Springer Online Journal Archives 1860-2000
Topics:
Physics
Notes:
Abstract The effects of symmetric lattice relaxation around the tetrahedral (T) and the hexagonal (H) interstitial sites are calculated for normal muonium (Mu) in diamond using the non-semiempirical method of Partial Retention of Diatomic Differential Overlap (PRDDO). We use clusters containing 3 and 4 host atom shells around the T and the H sites (C20H32 and C30H40). The only significant relaxations are the outward displacement of the 6 nearest neighbors (NN) to the H site and, when the muon is at the T site, the simultaneous outward displacement of the first and second NN to the T site. In the case of diamond, the effects of these relaxations on the energy profiles and spin densities are small.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF02394964
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