DOI | Resolve DOI: https://doi.org/10.1103/PhysRevB.72.174103 |
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Author | Search for: Ma, Yanming; Search for: Cui, Tian; Search for: Zhang, Lijun; Search for: Xie, Yu; Search for: Zou, Guangtian; Search for: Tse, John; Search for: Gao, Xing; 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 equation of states, electronic and phonon band structure, Fermi surface, and transport properties of Os under high pressure have been studied with first-principles calculations. The theoretical results reproduced the experimentally observed anomaly in the c/a ratio around 25 GPa . Analysis of the electronic band structure and Fermi surface does not support an electronic topological transition. Moreover, no phonon softening was observed in the lattice dynamics calculations. However, calculations of the Hall coefficient reveal subtle changes in the electron band dispersions at the Fermi surface which may account for the observed anomaly in the c/a ratio. |
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Publication date | 2005-11-01 |
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Publisher | American Physical Society |
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In | |
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Language | English |
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Peer reviewed | Yes |
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NPARC number | 12339079 |
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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 | d80f69e4-49b7-4e0d-a084-4b114d79d588 |
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Record created | 2009-09-11 |
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Record modified | 2023-06-23 |
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