Ab-Inito Total Energy Calculations on the AgNd Compound
| dc.contributor.author | Sürücü, G. | |
| dc.contributor.author | Çolakoğlu, K. | |
| dc.contributor.author | Deligöz, Engin | |
| dc.contributor.author | Çiftçi, Y. O. | |
| dc.date.accessioned | 2023-12-04T06:16:44Z | |
| dc.date.available | 2023-12-04T06:16:44Z | |
| dc.date.issued | 2009 | |
| dc.department | Sabire Yazıcı Fen Edebiyat Fakültesi | |
| dc.description.abstract | In this study we present the results of our calculations on the Neodymium Silver (AgNd) compound by performing ab initio total energy calculations within the generalized gradient approximation (GGA) in VASP package. Specifically, we have computed some basic physical properties, such as lattice constant, bulk modulus, second-order elastic constants (Cij), the electronic band structures, and phonon frequencies ,and compared with the available experimental and other theoretical findings. | |
| dc.identifier.endpage | 5 | en_US |
| dc.identifier.issue | 1 | en_US |
| dc.identifier.startpage | 1 | en_US |
| dc.identifier.uri | https://hdl.handle.net/20.500.12451/11320 | |
| dc.identifier.volume | 15 | en_US |
| dc.language.iso | en | |
| dc.publisher | Boğaziçi Üniversitesi | |
| dc.relation.ispartof | Balkan Physics Letters | |
| dc.relation.publicationcategory | Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı | |
| dc.rights | info:eu-repo/semantics/openAccess | |
| dc.subject | Total Energy | |
| dc.subject | Ab-Inito | |
| dc.title | Ab-Inito Total Energy Calculations on the AgNd Compound | |
| dc.type | Article |
