| DOI | Resolve DOI: https://doi.org/10.1103/PhysRevB.69.132101 |
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| Author | Search for: Tse, John S.1; Search for: Li, Zhiqiang1; Search for: Uehara, Kentaro1; Search for: Ma, Yanming1; Search for: Ahuja, Rajeev |
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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 Fermi surface, phonon spectrum, and electron-phonon coupling parameter for metallic Nb under high pressure have been investigated with a full potential linearized augmented plane wave, linear muffin-tin orbital, and pseudopotential plane-wave methods. The results support the experimental observation of electronic topological transitions at 5 and 60 GPa. The lower pressure transition is related to a very subtle change in the topology of the Fermi surface as revealed in accurate calculations of the Hall coefficient. The transition at 60 GPa is identified with a change in the Fermi-surface topology due to the crossing of the electronic band along the Γ→N (Σ) direction in the cubic Brillouin zone. The calculated electron-phonon coupling parameters are in qualitative agreement with those derived from high-pressure experiment. |
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| Publication date | 2004-04-21 |
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| In | |
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| Language | English |
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| NPARC number | 12329130 |
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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 | 7f7a57c3-7dd4-49f9-b974-174388486a49 |
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| Record created | 2009-09-10 |
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| Record modified | 2020-04-17 |
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