A first-principles studies on TIX (X=P, As)
| dc.authorid | Colakoglu, Kemal -- 0000-0003-4108-2404 | |
| dc.contributor.author | Çiftçi, Yasemin O. | |
| dc.contributor.author | Çolakoğlu, Kemal | |
| dc.contributor.author | Deligöz, Engin | |
| dc.date.accessioned | 13.07.201910:50:10 | |
| dc.date.accessioned | 2019-07-29T19:27:21Z | |
| dc.date.available | 13.07.201910:50:10 | |
| dc.date.available | 2019-07-29T19:27:21Z | |
| dc.date.issued | 2008 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | We present an ab initio study of the structural, electronic and thermodynamic properties of TIX(X=P,As). The plane-wave pseudopotential approach to the density-functional theory within the LDA and GGA approximations implemented in VASP (Viena Ab-initio Simulation Package) is used. The calculated lattice parameter, elastic constants, and band structures are compared with other available theoretical results, and good agreement is obtained. In addition, we have calculated the transition pressure (P(t)) from zinc-blende (ZB) to (rock-salt) NaCl structures, and have examined some thermodynamic properties. | |
| dc.description.sponsorship | Gazi University Research Project [05/2007-23] | |
| dc.description.sponsorship | This work is supported by Gazi University Research Project unit under Project No: 05/2007-23. | |
| dc.identifier.doi | 10.2478/s11534-008-0109-y | |
| dc.identifier.endpage | 807 | en_US |
| dc.identifier.issn | 1895-1082 | |
| dc.identifier.issue | 4 | en_US |
| dc.identifier.scopusquality | N/A | |
| dc.identifier.startpage | 802 | en_US |
| dc.identifier.uri | https://doi.org/10.2478/s11534-008-0109-y | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/5844 | |
| dc.identifier.volume | 6 | en_US |
| dc.identifier.wos | WOS:000259560300008 | |
| dc.identifier.wosquality | N/A | |
| dc.indekslendigikaynak | Web of Science | |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | |
| dc.publisher | Versita | |
| dc.relation.ispartof | Central European Journal of Physics | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/closedAccess | |
| dc.subject | Ab Initio Calculations | |
| dc.subject | Elastic Properties | |
| dc.subject | Thermodynamic Properties | |
| dc.subject | Mechanical Properties | |
| dc.title | A first-principles studies on TIX (X=P, As) | |
| dc.type | Article |
