85 citations · 210 across the 8 of their papers we have counts for
8 papers
Large bulk photovoltaic effect and second-harmonic generation in few-layer pentagonal semiconductors PdS and PdSe
Vijay Kumar Gudelli, Guang-Yu Guo
Recently, atomically thin PdSe semiconductors with rare pentagonal Se-Pd-Se monolayers were synthesized and were also found to possess superior properties such as ultrahigh air…
Antiferromagnetism-induced second-order nonlinear optical responses of centrosymmetric bilayer CrI
Vijay Kumar Gudelli, Guang-Yu Guo
Antiferromagnetism (AF) in AB'-stacked centrosymmetric bilayer (BL) CrI breaks both spatial inversion () and time-reversal () symmetries but maintains the combined s…
Predicted thermoelectric properties of olivine-type Fe2GeCh4 (Ch = S, Se and Te)
Vijay Kumar Gudelli, V Kanchana, G Vaitheeswaran
We present here the thermoelectric properties of olivine-type Fe2GeCh4 (Ch = S, Se and Te) using the linear augmented plane wave method based on first principles density functional…
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…
CuAlTe: A promising bulk thermoelectric material
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran
Transport properties of Cu-based chalcopyrite materials are presented using the full potential linear augmented plane wave method and Boltzmann Semi-classical theory. All the 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…
Phase Stability and Thermoelectric Properties of the Mineral FeS2: An Ab Initio Study
Vijay Kumar Gudelli, V. Kanchana, S. Appalakondaiah +2
First principles calculations were carried out to study the phase stability and thermoelectric properties of the naturally occurring marcasite phase of FeS at ambient condition…