| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevB.69.064102 |
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| Author | Search for: Ma, Yanming; Search for: Tse, John; Search for: Klug, Dennis1 |
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| Affiliation | - National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
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| Format | Text, Article |
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| Abstract | 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a ZB phase (CuI-III) to a rhombohedral phase (CuI-IV), although the phonon softening towards zero frequency in CuI is superseded by a first order phase transition occurring at 1.74 GPa.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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| Publication date | 2004-02-11 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 12330230 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | 4429713e-ac48-4cb8-823d-87262666ac07 |
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| Record created | 2009-09-10 |
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| Record modified | 2020-04-17 |
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