| DOI | Trouver le DOI : https://doi.org/10.1016/S0039-6028(02)01574-1 |
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| Auteur | Rechercher : Tütüncü, H. M.1; Rechercher : Srivastava, G. P.; Rechercher : Tse, J. S.1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | Ab initio quantum chemical methods and calculations; Arsenic; Density functional calculations; Indium phosphide; Phonons |
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| Résumé | A first-principles study, using a linear-response approach based on the pseudopotential method and the local density functional scheme, has been carried out for the structural and dynamical properties of As overlayers on InP(1-1-0). Computations have been performed for two structural models: epitaxially continued layer structure and an exchange-reacted structure. For both structural models, we find several characteristic phonon modes in the bulk acoustic-optical gap region. These results have allowed us to provide a critical assessment of the previously reported dynamical properties of this system obtained from the application of a bond charge model. |
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| Date de publication | 2002-06-20 |
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| Dans | |
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| Numéro NPARC | 12338921 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 460ef760-30ba-45e4-8e53-7b45cdb2ab3a |
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| Enregistrement créé | 2009-09-11 |
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| Enregistrement modifié | 2020-03-30 |
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