Investigation of Structural, Elastic, and Piezoelectric Properties of NbSbO4 Crystal

Home Page
About
Submit A Journal
Submit A Conference
Submit Paper/Book
- Submit a Preprint
- Submit a Book
Contact

Yüzüncü Yıl Üniversitesi Fen Bilimleri Enstitüsü Dergisi
Volume:28 Issue:2
Investigation of Structural, Elastic, and Piezoelectric Properties of NbSbO4 Crystal

Investigation of Structural, Elastic, and Piezoelectric Properties of NbSbO4 Crystal

Pages : 370-382

View : 77 | Download : 42

Publication Date : 2023-08-31

Article Type : Research Paper

Abstract :The structural, elastic, and piezoelectric properties of the NbSbO4 crystal were calculated based on the density functional theory. These properties were calculated using the ABINIT package program under both the generalized gradient approximation and the local density approximation. The elastic stiffness tensor and the elastic compliance tensor for the NbSbO4 crystal were calculated in the ground state. Voigt Bulk Modulus, Reuss Bulk Modulus, Hill Bulk Modulus, Voigt Shear Modulus, Reuss Shear Modulus, Hill Shear Modulus, Young Modulus, Poisson Ratio, Flexibility Coefficient, Debye temperature, Longitudinal sound wave velocity for NbSbO4 crystal using elastic stiffness and elastic compliance tensor, Transverse sound wave velocity and Average speed of sound were calculated. Then, the ground state piezoelectric tensor of the NbSbO4 crystal was calculated. Accordingly, 2D longitudinal surfaces and 3D representation surfaces of the piezoelectric tensor were obtained using MTEX software. The properties obtained with both the generalized gradient approximation and the local density approximation are compared. As a result of the calculations, it was understood that the material was a flexible and formable material in both approximations.
Keywords : Abinit, DFT, Elastik özellikler, MTEX, NbSbO4, piezoelektrik özellikler

ORIGINAL ARTICLE URL

* There may have been changes in the journal, article,conference, book, preprint etc. informations. Therefore, it would be appropriate to follow the information on the official page of the source. The information here is shared for informational purposes. IAD is not responsible for incorrect or missing information.