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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| Format: | Article |
| Language: | English |
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Institute for Condensed Matter Physics
2011-06-01
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| Series: | Condensed Matter Physics |
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| Online Access: | http://dx.doi.org/10.5488/CMP.14.23601 |
| _version_ | 1818317799953530880 |
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| author | A. Jahandoost M. Jafari M. Vaezzadeh N. Zarifi |
| author_facet | A. Jahandoost M. Jafari M. Vaezzadeh N. Zarifi |
| author_sort | A. Jahandoost |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-13T09:43:04Z |
| format | Article |
| id | doaj.art-ace0b06cb7064e5a9e997fc2490b7c25 |
| institution | Directory Open Access Journal |
| issn | 1607-324X |
| language | English |
| last_indexed | 2024-12-13T09:43:04Z |
| publishDate | 2011-06-01 |
| publisher | Institute for Condensed Matter Physics |
| record_format | Article |
| series | Condensed Matter Physics |
| spelling | doaj.art-ace0b06cb7064e5a9e997fc2490b7c252022-12-21T23:52:09ZengInstitute for Condensed Matter PhysicsCondensed Matter Physics1607-324X2011-06-0114223601Effect of pressure on the electronic structure of hcp TitaniumA. JahandoostM. JafariM. VaezzadehN. ZarifiThe 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.http://dx.doi.org/10.5488/CMP.14.23601 effect of pressurehcp-TiGibbs free energylattice parametersEBP method |
| spellingShingle | A. Jahandoost M. Jafari M. Vaezzadeh N. Zarifi Effect of pressure on the electronic structure of hcp Titanium Condensed Matter Physics effect of pressure hcp-Ti Gibbs free energy lattice parameters EBP method |
| title | Effect of pressure on the electronic structure of hcp Titanium |
| title_full | Effect of pressure on the electronic structure of hcp Titanium |
| title_fullStr | Effect of pressure on the electronic structure of hcp Titanium |
| title_full_unstemmed | Effect of pressure on the electronic structure of hcp Titanium |
| title_short | Effect of pressure on the electronic structure of hcp Titanium |
| title_sort | effect of pressure on the electronic structure of hcp titanium |
| topic | effect of pressure hcp-Ti Gibbs free energy lattice parameters EBP method |
| url | http://dx.doi.org/10.5488/CMP.14.23601 |
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