20 citations · 22 across the 3 of their papers we have counts for
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The importance of anisotropic Coulomb interactions and exchange to the band gap and antiferromagnetism of β-MnO2 from DFT+U
David A. Tompsett, Derek S. Middlemiss, M. Saiful Islam
First principles density functional theory (DFT) is used to investigate the electronic structure of β-MnO2. From collinear spin polarized calculations we find that DFT+U_Eff predic…
Doping driven magnetic instabilities and quantum criticality of NbFe
D. A. Tompsett, R. J. Needs, F. M. Grosche +1
Using density functional theory we investigate the evolution of the magnetic ground state of NbFe due to doping by Nb-excess and Fe-excess. We find that non-rigid-band effect…
CaFe2As2: a Springboard to Investigating Fe-Pnictide Superconductivity
D. A. Tompsett, G. G. Lonzarich
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure pha…