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High Pressure Structural Stability, and Optical Properties of Scheelite type ZrGeO and HfGeO X-ray Phosphor Hosts
G. Shwetha, V. Kanchana, K. Ramesh Babu +2
\emph{Ab-initio} calculations were performed on the scheelite type MGeO (M = Hf, and Zr) compounds which find wide range of applications such as in x-ray imaging. We have studi…
Thermoelectric properties of marcasite and pyrite FeX(X=Se,Te): A first principle study
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran +2
Electronic structure and thermoelectric properties of marcasite (m) and synthetic pyrite (p) phases of FeX (X=Se,Te) have been investigated using first principles density funct…
Thermoelectric properties of chalcopyrite type CuGaTe and chalcostibite CuSbS
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran +2
Electronic and transport properties of CuGaTe, a hole-doped ternary copper based chalcopyrite type semiconductor, are studied using calculations within the Density Functional T…