activity
20062015
most citedElectronic Structure and Doping in BaFeAs and LiFeAs: Density Functional Calculations

423 citations · 1.5k across the 20 of their papers we have counts for

collaborators

20 papers

cond-mat.str-el2015★ 62 cited

Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6

A. E. Taylor, R. Morrow, D. J. Singh +4

The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction…

cond-mat.mtrl-sci2012★ 95 cited

Thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2

A. F. May, M. A. McGuire, J. Ma +5

The thermoelectric transport properties of CaMg2Bi2, EuMg2Bi2, and YbMg2Bi2 were characterized between 2 and 650K. As synthesized, the polycrystalline samples are found to have low…

cond-mat.str-el2011★ 15 cited

Three dimensional magnetism and coupling to conduction electrons in PdCrO2

K. P. Ong, D. J. Singh

We report density functional calculations addressing the electronic structure and magnetic properties of delafossite PdCrO2. We find substantial magnetic interactions in the c-axis…

cond-mat.mtrl-sci2010★ 54 cited

Thermopower of SnTe from Boltzmann Transport Calculations

D. J. Singh

The doping and temperature dependent thermopower of SnTe is calculated from the first principles band structure using Boltzmann transport theory. We find that the -type thermopo…

cond-mat.supr-con2010★ 22 cited

Orbital Symmetry of Ba(Fe1-xCox)2As2 Superconductors Probed with X-ray Absorption Spectroscopy

C. Parks Cheney, F. Bondino, T. A. Callcott +13

The orbital symmetries of electron doped iron-arsenide superconductors Ba(Fe1-xCox)2As2 have been measured with x-ray absorption spectroscopy. The data reveal signatures of Fe d el…

cond-mat.mtrl-sci2010★ 90 cited

Enhanced Born Charge and Proximity to Ferroelectricity in Thallium Halides

M. H. Du, D. J. Singh

Electronic structure and lattice dynamics calculations on thallium halides show that the Born effective charges in these compounds are more than twice larger than the nominal ionic…