Lattice relaxation for normal muonium in diamond
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 an...
Ausführliche Beschreibung
Gespeichert in:
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| Format: |
E-Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
1986 |
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| Umfang: |
5 |
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| Reproduktion: |
Springer Online Journal Archives 1860-2002 |
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| Übergeordnetes Werk: |
in: Hyperfine interactions - 1975, 32(1986) vom: Jan./Apr., Seite 613-617 |
| Übergeordnetes Werk: |
volume:32 ; year:1986 ; month:01/04 ; pages:613-617 ; extent:5 |
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| 520 | |a 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. | ||
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(DE-627)NLEJ194345270 DE-627 ger DE-627 rakwb eng Lattice relaxation for normal muonium in diamond 1986 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. Springer Online Journal Archives 1860-2002 Estreicher, S. oth Marynick, D. S. oth in Hyperfine interactions 1975 32(1986) vom: Jan./Apr., Seite 613-617 (DE-627)NLEJ188985573 (DE-600)2021614-2 1572-9540 nnns volume:32 year:1986 month:01/04 pages:613-617 extent:5 http://dx.doi.org/10.1007/BF02394964 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 32 1986 1/4 613-617 5 |
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(DE-627)NLEJ194345270 DE-627 ger DE-627 rakwb eng Lattice relaxation for normal muonium in diamond 1986 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. Springer Online Journal Archives 1860-2002 Estreicher, S. oth Marynick, D. S. oth in Hyperfine interactions 1975 32(1986) vom: Jan./Apr., Seite 613-617 (DE-627)NLEJ188985573 (DE-600)2021614-2 1572-9540 nnns volume:32 year:1986 month:01/04 pages:613-617 extent:5 http://dx.doi.org/10.1007/BF02394964 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 32 1986 1/4 613-617 5 |
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(DE-627)NLEJ194345270 DE-627 ger DE-627 rakwb eng Lattice relaxation for normal muonium in diamond 1986 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. Springer Online Journal Archives 1860-2002 Estreicher, S. oth Marynick, D. S. oth in Hyperfine interactions 1975 32(1986) vom: Jan./Apr., Seite 613-617 (DE-627)NLEJ188985573 (DE-600)2021614-2 1572-9540 nnns volume:32 year:1986 month:01/04 pages:613-617 extent:5 http://dx.doi.org/10.1007/BF02394964 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 32 1986 1/4 613-617 5 |
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(DE-627)NLEJ194345270 DE-627 ger DE-627 rakwb eng Lattice relaxation for normal muonium in diamond 1986 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. Springer Online Journal Archives 1860-2002 Estreicher, S. oth Marynick, D. S. oth in Hyperfine interactions 1975 32(1986) vom: Jan./Apr., Seite 613-617 (DE-627)NLEJ188985573 (DE-600)2021614-2 1572-9540 nnns volume:32 year:1986 month:01/04 pages:613-617 extent:5 http://dx.doi.org/10.1007/BF02394964 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 32 1986 1/4 613-617 5 |
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(DE-627)NLEJ194345270 DE-627 ger DE-627 rakwb eng Lattice relaxation for normal muonium in diamond 1986 5 nicht spezifiziert zzz rdacontent nicht spezifiziert z rdamedia nicht spezifiziert zu rdacarrier 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. Springer Online Journal Archives 1860-2002 Estreicher, S. oth Marynick, D. S. oth in Hyperfine interactions 1975 32(1986) vom: Jan./Apr., Seite 613-617 (DE-627)NLEJ188985573 (DE-600)2021614-2 1572-9540 nnns volume:32 year:1986 month:01/04 pages:613-617 extent:5 http://dx.doi.org/10.1007/BF02394964 GBV_USEFLAG_U ZDB-1-SOJ GBV_NL_ARTICLE AR 32 1986 1/4 613-617 5 |
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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. |
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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. |
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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. |
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