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Archive Ouverte HAL-UPMC | |
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Archive Ouverte HAL-UPMC | |
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| HAL : hal-00284372, version 1 |
| arXiv : 0806.0438 |
| DOI : 10.1088/0953-8984/20/45/455205 |
| Fiche détaillée |  Récupérer au format |
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| Journal of Physics Condensed Matter / JOURNAL OF PHYSICS-CONDENSED MATTER 20, 45 (2008) 455205 |
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| Site symmetry and crystal symmetry: a spherical tensor analysis |
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| Christian Brouder 1Amélie Juhin 1 |
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| (2008) |
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| The relation between the properties of a specific crystallographic site and the properties of the full crystal is discussed by using spherical tensors. The concept of spherical tensors is introduced and the way it transforms under the symmetry operations of the site and from site to site is described in detail. The law of spherical tensor coupling is given and illustrated with the example of the electric dipole and quadrupole transitions in x-ray absorption spectroscopy. The main application of the formalism is the reduction of computation time in the calculation of the properties of crystals by band structure methods. The general approach is illustrated by the examples of substitutional chromium in spinel and substitutional vanadium in garnet. |
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| 1 : | Institut de minéralogie et de physique des milieux condensés (IMPMC) |
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CNRS : UMR7590 – IPG PARIS – Université Pierre et Marie Curie [UPMC] - Paris VI – Université Paris VII - Paris Diderot |
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| Domaine | : | Physique/Matière Condensée/Electrons fortement corrélés |
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| spherical tensors – spinel – garnet |
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| Liste des fichiers attachés à ce document : | ||||||||||
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| hal-00284372, version 1 | |
| http://hal.archives-ouvertes.fr/hal-00284372 | |
| oai:hal.archives-ouvertes.fr:hal-00284372 | |
| Contributeur : Christian Brouder | |
| Soumis le : Lundi 2 Juin 2008, 23:18:26 | |
| Dernière modification le : Jeudi 22 Juillet 2010, 22:59:40 | |
