781 citations · 1.1k across the 5 of their papers we have counts for
5 papers
Electronic structure of Ba(Fe,Ru)2As2 and Sr(Fe,Ir)2As2 alloys
Lijun Zhang, D. J. Singh
The electronic structures of Ba(Fe,Ru)As and Sr(Fe,Ir)As are investigated using density functional calculations. We find that these systems behave as coherent alloy…
Density Functional Study of the Over-Doped Iron Chalcogenide: TlFeSe with ThCrSi structure
Lijun Zhang, D. J. Singh
We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFeSe, which occurs in the ThCrSi st…
Density Functional Study of Excess Fe in FeTe: Magnetism and Doping
Lijun Zhang, D. J. Singh, Mao-Hua Du
The electronic and magnetic properties of the excess Fe in iron telluride FeTe are investigated by density functional calculations. We find that the excess Fe occurs with…
Possible Superconductivity in Fe-Sb Based Materials: Density Functional Study of LiFeSb
Lijun Zhang, Alaska Subedi, D. J. Singh +1
We investigate the electronic and other properties of the hypothetical compound LiFeSb in relation to superconducting LiFeAs and FeSe using density functional calculations. The res…
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…