Ab initio study of the pressure dependence of mechanical and thermodynamic properties of GeB2O4 (B = Mg, Zn and Cd) spinel crystals
Ab initio full-potential (linearized) augmented plane-wave plus local orbitals (FP-(L)APW + lo) calculations are performed to study the hydrostatic pressure dependence of the mechanical and thermodynamics properties of GeMg2O4, GeZn2O4, and GeCd2O4 cubic spinels. The calculated equilibrium structura...
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Main Authors: | Zerarga, F., Allali, D., Bouhemadou, A., Khenata, R., Deghfel, B., Essaoud, S. Saad, Ahmed, R., Al-Douri, Y., Safaai, S. S., Omran, S., Naqib, S. H. |
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Format: | Article |
Published: |
Elsevier B.V.
2022
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Online Access: | http://eprints.utm.my/103357/ http://dx.doi.org/10.1016/j.cocom.2022.e00705 |
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