A DFT study of structural, magnetic, elastic and optoelectronic properties of lanthanide based XAlO3 (X=Nd, Gd) compounds
Full potential linearized augmented plan wave (FP-LAPW) method based on density functional theory (DFT) is employed to investigate the structural, optoelectronic, elastic and magnetic properties of cubic XAlO3 (X = Nd, Gd) perovskites. The optimized unit cells have been used to expose the thermodyna...
Main Authors: | Mehwish K. Butt, Muhammad Yaseen, Ijaz A. Bhatti, Javed Iqbal, Misbah, Adil Murtaza, Munawar Iqbal, Murefah mana AL-Anazy, M.H. Alhossainy, A. Laref |
---|---|
Format: | Article |
Language: | English |
Published: |
Elsevier
2020-11-01
|
Series: | Journal of Materials Research and Technology |
Subjects: | |
Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785420320214 |
Similar Items
-
Phase transition and thermoelectric properties of cubic KNbO3 under pressure: DFT approach
by: Muhammad Yaseen, et al.
Published: (2021-03-01) -
Ab initio study of fundamental properties of XAlO3 (X = Cs, Rb and K) compounds
by: Saadi Berri
Published: (2018-06-01) -
Effect of cationic-surfactant-modified Saudi bentonite on the thermal and flammability properties of poly(vinyl alcohol)-based nanocomposite films
by: Mashael Alshabanat, et al.
Published: (2019-12-01) -
Substitutional effect of copper on the cation distribution in cobalt chromium ferrites and their structural and magnetic properties
by: Zeeshan Talat, et al.
Published: (2018-06-01) -
Magnetic couplings and superparamagnetic properties of spinel ferrite nanoparticles
by: Vestal, Christy Riann
Published: (2006)