781 citations · 1.3k across the 3 of their papers we have counts for
3 papers
cond-mat.supr-con2008★ 781 cited
Density functional study of FeS, FeSe and FeTe: Electronic structure, magnetism, phonons and superconductivity
Alaska Subedi, Lijun Zhang, David J. Singh +1
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum, magnetism and electron-phonon coupling for the superconducting phase FeSe, as…
cond-mat.supr-con2008★ 423 cited
Electronic Structure and Doping in BaFeAs and LiFeAs: Density Functional Calculations
D. J. Singh
We report density functional calculations of the electronic structure and Fermi surface of the BaFeAs and LiFeAs phases including doping via the virtual crystal approximati…
cond-mat.mtrl-sci2008★ 86 cited
Frustration of tilts and A-site driven ferroelectricity in KNbO_3-LiNbO_3 alloys
D. I. Bilc, D. J. Singh
Density functional calculations for K_{0.5}Li_{0.5}NbO_3 show strong A-site driven ferroelectricity, even though the average tolerance factor is significantly smaller than unity an…