914 citations · 8.2k across the 135 of their papers we have counts for
7 papers · 1 filter
Avoiding the polarization catastrophe in LaAlO3 overlayers on SrTiO3(001) through a polar distortion
R. Pentcheva, W. E. Pickett
A pronounced uniform polar distortion extending over several unit cells enables thin LaAlO3 overlayers on SrTiO3(001) to counteract the charge dipole and thereby neutralize the "po…
Anisotropy, Itineracy, and Magnetic Frustration in High-Tc Iron Pnictides
Myung Joon Han, Quan Yin, Warren E. Pickett +1
Using first-principle density functional theory calculations combined with insight from a tight-binding representation, dynamical mean field theory, and linear response theory, we…
The Delicate Electronic and Magnetic Structure of the LaOFePn System (Pn = pnictogen)
S. Lebegue, Z. P. Yin, W. E. Pickett
The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fu…
Magnetism from States in Alkaline Earth Monoxides: Trends with Varying N Impurity Concentration
V. Pardo, W. E. Pickett
-based magnetic moments and magnetic coupling are studied with density functional based methods for substitutional N in the alkaline earth monoxide series MgO, CaO, SrO, BaO. T…
Anisotropy and Magnetism in the LSDA+U Method
Erik R. Ylvisaker, Warren E. Pickett, Klaus Koepernik
Consequences of anisotropy (variation of orbital occupation) and magnetism, and their coupling, are analyzed for LSDA+U functionals, both the commonly used ones as well as less com…
Disorder-Induced Stabilization of the Pseudogap in Strongly Correlated Systems
Simone Chiesa, Prabuddha B. Chakraborty, Warren E. Pickett +1
The interplay of strong interaction and strong disorder, as contained in the Anderson-Hubbard model, is addressed using two non-perturbative numerical methods: the Lanczos algorith…