W. Pickett

activity

20002025

most citedAvoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through a polar distortion

319 citations · 2.8k across the 53 of their papers we have counts for

collaborators

Showing 2004 · cond-mat.str-elShow all

3 papers · 2 filters

cond-mat.str-el2004★ 51 cited

Disproportionation Transition at Critical Interaction Strength: Na $_{1/2}$ CoO $_{2}$

K. -W. Lee, J. Kunes, P. Novak +1

Charge disproportionation (CD) and spin differentiation in Na $_{1/2}$ CoO $_{2}$ are studied using the correlated band theory approach. The simultaneous CD and gap opening seen previou…

cond-mat.str-el2004

Exchange coupling in Eu monochalcogenides from first principles

J. Kunes, Wei Ku, W. E. Pickett

Using a density functional method with explicit account for strong Coulomb repulsion within the 4f shell, we calculate effective exchange parameters and the corresponding ordering…

cond-mat.str-el2004

Kondo and anti-Kondo coupling to local moments in EuB $_{6}$

J. Kunes, W. E. Pickett

With a treatment of the 4 $f$ states of EuB $_{6}$ based on LDA+U method, the mixing of Eu $f$ states with B $p$ states around the X point of the Brillouin zone is shown to have unexpe…

Disproportionation Transition at Critical Interaction Strength: Na1/2​CoO2​

Exchange coupling in Eu monochalcogenides from first principles

Kondo and anti-Kondo coupling to local moments in EuB6​

Disproportionation Transition at Critical Interaction Strength: Na $_{1/2}$ CoO $_{2}$

Kondo and anti-Kondo coupling to local moments in EuB $_{6}$