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Semiempirical calculation of oxygen vacancy in vitreous silica
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| Zeitschriftentitel: | physica status solidi (b) |
|---|---|
| Personen und Körperschaften: | , |
| In: | physica status solidi (b), 135, 1986, 1, S. 369-377 |
| Format: | E-Article |
| Sprache: | Englisch |
| veröffentlicht: |
Wiley
|
| Schlagwörter: |
| author_facet |
Sokolov, V. O. Sulimov, V. B. Sokolov, V. O. Sulimov, V. B. |
|---|---|
| author |
Sokolov, V. O. Sulimov, V. B. |
| spellingShingle |
Sokolov, V. O. Sulimov, V. B. physica status solidi (b) Semiempirical calculation of oxygen vacancy in vitreous silica Condensed Matter Physics Electronic, Optical and Magnetic Materials |
| author_sort |
sokolov, v. o. |
| spelling |
Sokolov, V. O. Sulimov, V. B. 0370-1972 1521-3951 Wiley Condensed Matter Physics Electronic, Optical and Magnetic Materials http://dx.doi.org/10.1002/pssb.2221350136 <jats:title>Abstract</jats:title><jats:p>Electronic properties of an oxygen vacancy in solid silicon dioxide are investigated by a semiempirical LCAO/MO method (MINDO/3) in a molecular cluster approximation. The importance is demonstrated of taking into account the relaxation of the nearest atomic environment of the oxygen vacancy. One‐electron energies and wave functions, conformation parameters, and ESR electronic <jats:italic>g</jats:italic>‐factors are calculated for a number of charge states of the oxygen vacancy.</jats:p> Semiempirical calculation of oxygen vacancy in vitreous silica physica status solidi (b) |
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Wiley, 1986 |
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Wiley, 1986 |
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1986 |
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Wiley |
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physica status solidi (b) |
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49 |
| title |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_unstemmed |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_full |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_fullStr |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_full_unstemmed |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_short |
Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_sort |
semiempirical calculation of oxygen vacancy in vitreous silica |
| topic |
Condensed Matter Physics Electronic, Optical and Magnetic Materials |
| url |
http://dx.doi.org/10.1002/pssb.2221350136 |
| publishDate |
1986 |
| physical |
369-377 |
| description |
<jats:title>Abstract</jats:title><jats:p>Electronic properties of an oxygen vacancy in solid silicon dioxide are investigated by a semiempirical LCAO/MO method (MINDO/3) in a molecular cluster approximation. The importance is demonstrated of taking into account the relaxation of the nearest atomic environment of the oxygen vacancy. One‐electron energies and wave functions, conformation parameters, and ESR electronic <jats:italic>g</jats:italic>‐factors are calculated for a number of charge states of the oxygen vacancy.</jats:p> |
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| author | Sokolov, V. O., Sulimov, V. B. |
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| container_title | physica status solidi (b) |
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| description | <jats:title>Abstract</jats:title><jats:p>Electronic properties of an oxygen vacancy in solid silicon dioxide are investigated by a semiempirical LCAO/MO method (MINDO/3) in a molecular cluster approximation. The importance is demonstrated of taking into account the relaxation of the nearest atomic environment of the oxygen vacancy. One‐electron energies and wave functions, conformation parameters, and ESR electronic <jats:italic>g</jats:italic>‐factors are calculated for a number of charge states of the oxygen vacancy.</jats:p> |
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| id | ai-49-aHR0cDovL2R4LmRvaS5vcmcvMTAuMTAwMi9wc3NiLjIyMjEzNTAxMzY |
| imprint | Wiley, 1986 |
| imprint_str_mv | Wiley, 1986 |
| institution | DE-Brt1, DE-D161, DE-Gla1, DE-Zi4, DE-15, DE-Pl11, DE-Rs1, DE-105, DE-14, DE-Ch1, DE-L229, DE-D275, DE-Bn3 |
| issn | 0370-1972, 1521-3951 |
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| language | English |
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| physical | 369-377 |
| publishDate | 1986 |
| publishDateSort | 1986 |
| publisher | Wiley |
| record_format | ai |
| recordtype | ai |
| series | physica status solidi (b) |
| source_id | 49 |
| spelling | Sokolov, V. O. Sulimov, V. B. 0370-1972 1521-3951 Wiley Condensed Matter Physics Electronic, Optical and Magnetic Materials http://dx.doi.org/10.1002/pssb.2221350136 <jats:title>Abstract</jats:title><jats:p>Electronic properties of an oxygen vacancy in solid silicon dioxide are investigated by a semiempirical LCAO/MO method (MINDO/3) in a molecular cluster approximation. The importance is demonstrated of taking into account the relaxation of the nearest atomic environment of the oxygen vacancy. One‐electron energies and wave functions, conformation parameters, and ESR electronic <jats:italic>g</jats:italic>‐factors are calculated for a number of charge states of the oxygen vacancy.</jats:p> Semiempirical calculation of oxygen vacancy in vitreous silica physica status solidi (b) |
| spellingShingle | Sokolov, V. O., Sulimov, V. B., physica status solidi (b), Semiempirical calculation of oxygen vacancy in vitreous silica, Condensed Matter Physics, Electronic, Optical and Magnetic Materials |
| title | Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_full | Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_fullStr | Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_full_unstemmed | Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_short | Semiempirical calculation of oxygen vacancy in vitreous silica |
| title_sort | semiempirical calculation of oxygen vacancy in vitreous silica |
| title_unstemmed | Semiempirical calculation of oxygen vacancy in vitreous silica |
| topic | Condensed Matter Physics, Electronic, Optical and Magnetic Materials |
| url | http://dx.doi.org/10.1002/pssb.2221350136 |