Total energy calculations using DFT+DMFT: Computing the pressure phase diagram of the rare earth nickelates

Thermodynamics of theα-γtransition in cerium from first principles

(2014) J. Bieder et al.   PHYSICAL REVIEW B

Covalency and the metal-insulator transition in titanate and vanadate perovskites

(2014) Hung T. Dang et al.   PHYSICAL REVIEW B

A self-consistent DFT + DMFT scheme in the projector augmented wave method: applications to cerium, Ce2O3and Pu2O3with the Hubbard I solver and comparison to DFT +U

(2012) B Amadon   JOURNAL OF PHYSICS-CONDENSED MATTER

Approaching finite-temperature phase diagrams of strongly correlated materials: A case study for V2O3

(2012) Daniel Grieger et al.   PHYSICAL REVIEW B

Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides

(2012) Xin Wang et al.   PHYSICAL REVIEW B

Hallmark of strong electronic correlations in LaNiO3: Photoemission kink and broadening of fully occupied bands

(2012) Xiaoyu Deng et al.   PHYSICAL REVIEW B

Orbital Selective Fermi Surface Shifts and Mechanism of HighTcSuperconductivity in CorrelatedAFeAs(A=Li, Na)

(2012) Geunsik Lee et al.   PHYSICAL REVIEW LETTERS

Site-Selective Mott Transition in Rare-Earth-Element Nickelates

(2012) Hyowon Park et al.   PHYSICAL REVIEW LETTERS

Metal-insulator transition in a two-band model for the perovskite nickelates

(2011) SungBin Lee et al.   PHYSICAL REVIEW B

Importance of electronic correlations for structural and magnetic properties of the iron pnictide superconductor LaFeAsO

(2011) Markus Aichhorn et al.   PHYSICAL REVIEW B

Electronic Correlations at theα−γStructural Phase Transition in Paramagnetic Iron

(2011) I. Leonov et al.   PHYSICAL REVIEW LETTERS

Asymmetric Orbital-Lattice Interactions in Ultrathin Correlated Oxide Films

(2011) J. Chakhalian et al.   PHYSICAL REVIEW LETTERS

Low-dimensional Mott material: Transport in ultrathin epitaxial LaNiO3 films

(2010) Junwoo Son et al.   APPLIED PHYSICS LETTERS

Double counting in LDA+DMFT—The example of NiO

(2010) M. Karolak et al.   JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA

Pressure dependence of metal-insulator transition in perovskitesRNiO3(R=Eu, Y, Lu)

(2010) J.-G. Cheng et al.   PHYSICAL REVIEW B

Computation of correlation-induced atomic displacements and structural transformations in paramagneticKCuF3andLaMnO3

(2010) I. Leonov et al.   PHYSICAL REVIEW B

Correlation effects in the total energy, the bulk modulus, and the lattice constant of a transition metal: Combined local-density approximation and dynamical mean-field theory applied to Ni and Mn

(2009) I. Di Marco et al.   PHYSICAL REVIEW B

Charge disproportionation inRNiO3perovskites (R=rareearth) from high-resolution x-ray absorption spectroscopy

(2009) M. Medarde et al.   PHYSICAL REVIEW B

Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals

(2008) B. Amadon et al.   PHYSICAL REVIEW B

Structural Relaxation due to Electronic Correlations in the Paramagnetic InsulatorKCuF3

(2008) I. Leonov et al.   PHYSICAL REVIEW LETTERS

wannier90: A tool for obtaining maximally-localised Wannier functions

(2007) Arash A. Mostofi et al.   COMPUTER PHYSICS COMMUNICATIONS