| Yazarlar |
A K Kushwaha
|
|
Abdelmadjid Bouhemadou
|
|
Rabah Khenata
|
Abdullah CANDAN
Kırşehir Ahi Evran Üniversitesi, Türkiye |
|
Salih Akbudak
Adıyaman Üniversitesi, Türkiye |
|
Şule Uğur
Gazi Üniversitesi, Türkiye |
| Özet |
| First Brillouin zone-centre phonon frequencies, elastic stiffness and mechanical properties of the Ln2Hf20 7 [Ln: La, Nd, Sm and Eu] pyrochlore structure were predicted by using an eight parameter bond-bending force constant model. One of the preliminary results of our study is that all the examined compounds are mechanically stable, and the elastic stiffness constants, and bulk and shear moduli decrease in the following sequence: La2Hf2O7 -> Nd2Hf2O7 -> Sm2Hf2O7 -> Eu2Hf2O7. The Poisson's ratio reveals that the interatomic bonding of the studied compounds has an ionic character and their ionicity decreases when one moves from La to Eu. The elastic properties are anisotropic and the anisotropy increases from La to Eu. The Raman and infrared active and inactive modes of the studied materials were calculated. Our findings are in good accordance with the related available data. (C) 2019 Elsevier B.V. All rights reserved. |
| Anahtar Kelimeler |
| Lanthanide hafnium oxide, Phonon frequency, Mechanical properties |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | ESCI dergilerinde yayımlanan tam makale |
| Dergi Adı | Computational Condensed Matter |
| Dergi ISSN | 2352-2143 |
| Dergi Tarandığı Indeksler | Emerging Sources Citation Index (ESCI) |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2019 |
| Cilt No | 21 |
| Sayı | 1 |
| Sayfalar | 428 / 0 |
| Doi Numarası | 10.1016/j.cocom.2019.e00428 |
| Makale Linki | https://linkinghub.elsevier.com/retrieve/pii/S2352214319302746 |
| Atıf Sayıları | |
| SCOPUS | 1 |
| Google Scholar | 1 |
