| DOI | Trouver le DOI : https://doi.org/10.1103/PhysRevB.69.064102 |
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| Auteur | Rechercher : Ma, Yanming; Rechercher : Tse, John; Rechercher : Klug, Dennis1 |
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| Affiliation | - Conseil national de recherches Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Résumé | The lattice dynamics of zinc-blende (ZB) CuBr and CuI is studied as a function of pressure using density functional linear-response theory. A pressure-induced soft transverse acoustic (TA) phonon mode is identified for both compounds. Each compound shows a different pressure-induced phonon softening behavior. A TA phonon branch softens along the [?? 0] direction in CuBr, resulting in a phase transition from a ZB phase (CuBr-III) to a tetragonal phase (CuBr-IV). A softening TA phonon mode at the zone boundary L point in CuI may induce a phase transition from a ZB phase (CuI-III) to a rhombohedral phase (CuI-IV), although the phonon softening towards zero frequency in CuI is superseded by a first order phase transition occurring at 1.74 GPa. Possible phase transition paths are presented for both compounds. |
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| Date de publication | 2004-02-11 |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 12330230 |
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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 | 4429713e-ac48-4cb8-823d-87262666ac07 |
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| Enregistrement créé | 2009-09-10 |
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| Enregistrement modifié | 2020-04-17 |
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