| Yazarlar (2) |
Savaş Ağduk
Karabük Üniversitesi, Türkiye |
Prof. Dr. Gökhan GÖKOĞLU
Karabük Üniversitesi, Türkiye |
| Özet |
| In this study, we present the results of first principles calculations of elastic constants and structural properties of the Mg 2La cubic Laves phase (C15) up to 150 GPa pressure together with vibrational properties at equilibrium geometry. projector augmented wave (PAW) potentials are used with generalized gradient approximation (GGA) scheme of the density functional theory. The linear response technique of the density functional perturbation theory is applied in investigation of the phonon dispersion spectra. The static equation of states of the system has been studied with Vinet formulation. The values of applied pressure have also been obtained from the Vinet formulation of equation of states. The cubic phase of the system remains stable within the studied pressure range. The elastic anisotropy ratio indicates an electronic topological transition (ETT) around 100 GPa. This situation is also confirmed by electronic band structures. © 2011 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Computer simulations | Elasticity | Intermetallics | Phonons |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayımlanan tam makale |
| Dergi Adı | JOURNAL OF ALLOYS AND COMPOUNDS |
| Dergi ISSN | 0925-8388 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Expanded |
| Dergi Grubu | Q1 |
| Makale Dili | İngilizce |
| Basım Tarihi | 04-2012 |
| Cilt No | 520 |
| Sayı | 1 |
| Sayfalar | 93 / 97 |
| Doi Numarası | 10.1016/j.jallcom.2011.12.131 |
| Makale Linki | http://linkinghub.elsevier.com/retrieve/pii/S0925838811024157 |
| Atıf Sayıları | |
| WoS | 12 |
| SCOPUS | 12 |
| Google Scholar | 12 |
