The elastic, electronic, and vibrational properties of pure CdF2: A first-principles study
| dc.contributor.author | Deligöz, Engin | |
| dc.contributor.author | Çolakoğlu, Kemal | |
| dc.contributor.author | Çiftçi, Y.O. | |
| dc.date.accessioned | 2024-10-15T12:41:29Z | |
| dc.date.available | 2024-10-15T12:41:29Z | |
| dc.date.issued | 2007 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | Ab initio calculations, based on density functional theory and norm-conserving pseudopotentials, have been performed to investigate the some structural, elastic, electronic, and lattice-dynamical properties of pure CdF2. The calculated lattice parameter, phonon dispersion, and band structure are in accordance with the available experimental and other theoretical results. The pressure-dependent behaviours of elastic constants and band-structural properties of CdF2 are also reported. | |
| dc.identifier.doi | 10.1016/j.jallcom.2006.08.049 | |
| dc.identifier.endpage | 71 | en_US |
| dc.identifier.issue | 1-2 | en_US |
| dc.identifier.scopusquality | N/A | |
| dc.identifier.startpage | 66 | en_US |
| dc.identifier.uri | https://doi.org/10.1016/j.jallcom.2006.08.049 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/12550 | |
| dc.identifier.volume | 438 | en_US |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.relation.ispartof | Journal of Alloys and Compounds2007 | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/embargoedAccess | |
| dc.subject | First-principles Calculation | |
| dc.subject | Elastic Properties | |
| dc.subject | Lattice Dynamics | |
| dc.subject | Band Tructure | |
| dc.title | The elastic, electronic, and vibrational properties of pure CdF2: A first-principles study | |
| dc.type | Article |
