The first?principles calculations on the CuI compounds
| dc.contributor.author | Yüce, G. | |
| dc.contributor.author | Çolakoğlu, Kemal | |
| dc.contributor.author | Deligöz, Engin | |
| dc.contributor.author | Çiftçi, Y.Ö. | |
| dc.date.accessioned | 2024-10-16T11:39:47Z | |
| dc.date.available | 2024-10-16T11:39:47Z | |
| dc.date.issued | 2007 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | The ab initio total energy calculations, based on norm?conserving pseudopotentials and density functional theory, have been performed to investigate some structual, elastic, electronic and lattice dynamical properties of CuI in zinc blende (B3) and rock?salt (B1) structures. The calculated structural parameters, elastic moduli, band structures and the phonon dispersion curves are compared with the available experimental and the other theoretical works, and generally good results obtained. We have, also, presented the pressure dependent behaviours of the elastic constants for the same compound. | |
| dc.identifier.doi | 10.1063/1.2733415 | |
| dc.identifier.scopusquality | Q4 | |
| dc.identifier.uri | https://doi.org/10.1063/1.2733415 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/12555 | |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | |
| dc.publisher | AIP Publishing | |
| dc.relation.ispartof | AIP Conference Proceedings | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/closedAccess | |
| dc.subject | The First?Principles | |
| dc.subject | Calculations | |
| dc.title | The first?principles calculations on the CuI compounds | |
| dc.type | Article |
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