369 citations · 1.1k across the 19 of their papers we have counts for
19 papers
Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF 3 , CsCaF 3 and BaLiF 3
Vaitheeswaran G, Kanchana V, Zhang X +3
A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out b…
Electronic Structure, Transport and Phonons of SrAgF (=S, Se, Te): Bulk Superlattice Thermoelectrics
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran +4
We report calculations of the electronic structure, vibrational properties and transport for the p-type semiconductors, SrAgF (=S, Se and Te). We find soft phonons with low…
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…
Electronic topological transition in LaSn under pressure
Swetarekha Ram, V. Kanchana, G. Vaitheeswaran +3
The electronic structure, Fermi surface and elastic properties of the iso-structural and iso-electronic LaSn and YSn intermetallic compounds are studied under pressure with…
Structural, Vibrational, Elastic and Topological Properties of PaN Under Pressure
P. Modak, Ashok K. Verma, A. Svane +2
Electronic, structural, vibrational and elastic properties of PaN have been studied both at ambient and high pressures, using first principles methods with several commonly used pa…
Effect of van der Waals interactions on the structural and elastic properties of black phosphorus
S. Appalakondaiah, G. Vaitheeswaran, S. Lebegue +2
The structural and elastic properties of orthorhombic black phosphorus have been investigated using first-principles calculations based on density functional theory. The structural…