التفاصيل البيبلوغرافية
| العنوان: |
Elastic Constants of Beryllium Oxide: a First-Principles Investigation. |
| المؤلفون: |
Patel, H. S., Dabhi, V. A., Vora, A. M. |
| المصدر: |
AIP Conference Proceedings; 2020, Vol. 2224 Issue 1, p030006-1-030006-7, 7p |
| مصطلحات موضوعية: |
ELASTIC constants, POISSON'S ratio, BULK modulus, MODULUS of rigidity, BERYLLIUM, SPEED of sound |
| مستخلص: |
In this work, we determined elastic constants of hexagonal phase beryllium oxide by utilizing different pseudopotentials (PPs) like ultrasoft and projector-augmented wave with various XC functional and compared the results with previously available data. We calculated elastic constants, bulk modulus, Young’s modulus, shear modulus, Poisson’s ratio, Debye sound velocity, Debye temperature, and structure stability using ‘Thermo_pw’ tool. We then analyzed the influence of different PPs and XC functional on structural properties of said material. [ABSTRACT FROM AUTHOR] |
|
Copyright of AIP Conference Proceedings is the property of American Institute of Physics and its content may not be copied or emailed to multiple sites or posted to a listserv without the copyright holder's express written permission. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.) |
| قاعدة البيانات: |
Complementary Index |
Find this article in full text from Scitation.