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| HAL: hal-00641961, version 1 |
| arXiv: 1111.3892 |
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| Periodic Schrödinger operators with local defects and spectral pollution |
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| Eric Cancès 1, 2Virginie Ehrlacher 1, 2 |
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| (2011-11-16) |
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| This article deals with the numerical calculation of eigenvalues of perturbed periodic Schrödinger operators located in spectral gaps. Such operators are encountered in the modeling of the electronic structure of crystals with local defects, and of photonic crystals. The usual finite element Galerkin approximation is known to give rise to spectral pollution. In this article, we give a precise description of the corresponding spurious states. We then prove that the supercell model does not produce spectral pollution. Lastly, we extend results by Lewin and Séré on some no-pollution criteria. In particular, we prove that using approximate spectral projectors enables one to eliminate spectral pollution in a given spectral gap of the reference periodic Schödinger operator. |
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| 1: | Centre d'Enseignement et de Recherche en Mathématiques et Calcul Scientifique (CERMICS) |
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Ecole des Ponts ParisTech |
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| 2: | MICMAC (INRIA Paris - Rocquencourt) |
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Ecole des Ponts ParisTech – INRIA |
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| 3: | Laboratoire Jacques-Louis Lions (LJLL) |
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CNRS : UMR7598 – Université Pierre et Marie Curie [UPMC] - Paris VI |
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| 4: | Division of Applied Mathematics (DAM) |
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Brown University |
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| Subject | : | Physics/Mathematical Physics Mathematics/Mathematical Physics |
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| spectral pollution – defects – Schrödinger |
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| Fulltext link: |
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| http://fr.arXiv.org/abs/1111.3892 |
| hal-00641961, version 1 | |
| http://hal.archives-ouvertes.fr/hal-00641961 | |
| oai:hal.archives-ouvertes.fr:hal-00641961 | |
| From: Virginie Ehrlacher | |
| Submitted on: Thursday, 17 November 2011 08:00:57 | |
| Updated on: Thursday, 17 November 2011 08:00:57 | |
