Effect of pressure on the electronic structure of hcp Titanium
The effect of pressure on the hexagonal close-packed structure of titanium is investigated. The lattice parameters of the equilibrium structure were determined in terms of the Gibbs free energy using the Epitaxial Bain Path method. When this process was repeated for several pressures, the effect of...
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| Datum: | 2011 |
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| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | English |
| Veröffentlicht: |
Інститут фізики конденсованих систем НАН України
2011
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| Schriftenreihe: | Condensed Matter Physics |
| Online Zugang: | http://dspace.nbuv.gov.ua/handle/123456789/119980 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Effect of pressure on the electronic structure of hcp Titanium / M. Jafari, A. Jahandoost, M. Vaezzadeh, N. Zarifi // Condensed Matter Physics. — 2011. — Т. 14, № 2. — С. 23601:1-7. — Бібліогр.: 19 назв. — англ. |
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Digital Library of Periodicals of National Academy of Sciences of Ukraine| Zusammenfassung: | The effect of pressure on the hexagonal close-packed structure of titanium is investigated. The lattice parameters of the equilibrium structure were determined in terms of the Gibbs free energy using the Epitaxial Bain Path method. When this process was repeated for several pressures, the effect of pressure on the lattice parameters was revealed. The calculated lattice parameters were in good agreement with the experimental and theoretical results. The effects of pressure on parameters depending on the electronic structure such as conductivity and resistivity in the ground state were also investigated up to 30 GPa using density functional theory. |
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