Ab-initio study of the structural, electronic, elastic and vibrational properties of the intermetallic Pd3V and Pt3V alloys in the L12 phase
Yazarlar (10)
Nihat Arıkan Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Ahmet İYİGÖR Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Abdullah CANDAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Prof. Dr. Mustafa ÖZDURAN Kırşehir Ahi Evran Üniversitesi, Türkiye
Asım Karakoç Kırşehir Ahi Evran Üniversitesi
Şule Uğur Gazi Üniversitesi, Türkiye
Gökay Uğur Gazi Üniversitesi, Türkiye
Bouhemadou Abdelmadjid Université Ferhat Abbas Sétif 1
Saad Binomran King Saud University
Na Guechi Université Ferhat Abbas Sétif 1
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | Metals and Materials International (Q4) | ||
| Dergi ISSN | 1598-9623 Wos Dergi Scopus Dergi | ||
| Dergi Tarandığı Indeksler | SCI-Expanded | ||
| Makale Dili | İngilizce | Basım Tarihi | 12-2014 |
| Kabul Tarihi | 12-04-2026 | Yayınlanma Tarihi | – |
| Cilt / Sayı / Sayfa | 20 / 4 / 765–773 | DOI | 10.1007/s12540-014-4022-1 |
| Makale Linki | https://doi.org/10.1007/s12540-014-4022-1 | ||
| Özet |
| Pseudopotential plane-wave method based on density functional theory within the generalized gradient approximation for the exchange-correlation potential has been applied to study the structural, electronic, elastic and vibrational properties of the binary intermetallic Pd3V and Pt3V in the L12 phase. The optimized lattice constant, bulk modulus and its pressure derivative, independent single-crystal elastic constants and elastic wave velocities in three different directions are evaluated and compared with the available experimental and theoretical data. The polycrystalline elastic parameters, hardness coefficient, elastic anisotropy, Debye temperature are estimated. The electronic band structure, electronic total and partial densities of states, and total magnetic moment of the Pd3V and Pt3V alloys are computed and analyzed in comparison with the existing theoretical and experimental findings. Phonon-dispersion … |
| Anahtar Kelimeler |
| crystal structures | intermetallics | mechanical properties | thermodynamic properties |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Google Scholar | 13 |
| Scopus | 2 |
| Web of Science | 10 |