Vibrational properties of crystalline Sb2Te3 from first principles
Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons.
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| Veröffentlicht in: | Journal of physics. Condensed matter 2009-03, Vol.21 (9), p.095410-095410 (6) |
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| container_end_page | 095410 (6) |
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| container_issue | 9 |
| container_start_page | 095410 |
| container_title | Journal of physics. Condensed matter |
| container_volume | 21 |
| creator | Sosso, G C Caravati, S Bernasconi, M |
| description | Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons. |
| doi_str_mv | 10.1088/0953-8984/21/9/095410 |
| format | Article |
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Condensed matter</title><description>Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. 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Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Sosso, G C</au><au>Caravati, S</au><au>Bernasconi, M</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Vibrational properties of crystalline Sb2Te3 from first principles</atitle><jtitle>Journal of physics. Condensed matter</jtitle><date>2009-03-04</date><risdate>2009</risdate><volume>21</volume><issue>9</issue><spage>095410</spage><epage>095410 (6)</epage><pages>095410-095410 (6)</pages><issn>0953-8984</issn><eissn>1361-648X</eissn><coden>JCOMEL</coden><abstract>Phonon dispersion relations and infrared and Raman spectra of crystalline Sb2Te3 were computed within density functional perturbation theory. Overall good agreement with experiments is obtained, which allows us to assign the Raman and IR peaks to specific phonons.</abstract><cop>Bristol</cop><pub>IOP Publishing</pub><doi>10.1088/0953-8984/21/9/095410</doi></addata></record> |
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| identifier | ISSN: 0953-8984 |
| ispartof | Journal of physics. Condensed matter, 2009-03, Vol.21 (9), p.095410-095410 (6) |
| issn | 0953-8984 1361-648X |
| language | eng |
| recordid | cdi_pascalfrancis_primary_21190059 |
| source | IOP Publishing Journals; Institute of Physics (IOP) Journals - HEAL-Link |
| subjects | Condensed matter: structure, mechanical and thermal properties Exact sciences and technology Lattice dynamics Phonon states and bands, normal modes, and phonon dispersion Phonons and vibrations in crystal lattices Physics |
| title | Vibrational properties of crystalline Sb2Te3 from first principles |
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