Electronic, optical, elastic, thermoelectric and thermodynamic properties of the spinel oxides ZnRh2O4 and CdRh2O4

• Main Authors: Bouhemadou, Abdelmadjid, Allali, D., Boudiaf, Khaouther, Al Qarni, Bandar, Bin-Omran, Saad, Khenata, Rabah, Al-Douri, Yarub
• Format: Article
• Published: Elsevier 2019
• Subjects: Q Science (General); QC Physics
• Online Access: http://eprints.um.edu.my/20102/; https://doi.org/10.1016/j.jallcom.2018.09.338

Density functional FP-LAPW+lo method calculations were performed to explore the structural, electronic, optical, elastic, thermoelectric and thermodynamic properties of the spinel oxides ZnRh2O4 and CdRh2O4. The exchange-correlation potential were described using the GGA-PBEsol and TB-mBJ functional...