The effect of double counting, spin density, and Hund interaction in the different DFT+U functionals

Magnetic ground state of SrRuO3 thin film and applicability of standard first-principles approximations to metallic magnetism

(2017) Siheon Ryee et al.   Scientific Reports

Route to room-temperature ferromagnetic ultrathinSrRuO3films

(2015) Liang Si et al.   PHYSICAL REVIEW B

Density functional versus spin-density functional and the choice of correlated subspace in multivariable effective action theories of electronic structure

(2015) Hyowon Park et al.   PHYSICAL REVIEW B

Density functional plus dynamical mean-field theory of the spin-crossover moleculeFe(phen)2(NCS)2

(2015) Jia Chen et al.   PHYSICAL REVIEW B

Electronic correlations, magnetism, and Hund's rule coupling in the ruthenium perovskitesSrRuO3andCaRuO3

(2015) Hung T. Dang et al.   PHYSICAL REVIEW B

Exact Double Counting in Combining the Dynamical Mean Field Theory and the Density Functional Theory

(2015) Kristjan Haule   PHYSICAL REVIEW LETTERS

Electronic structure, cohesive properties, and magnetism ofSrRuO3

(2014) Oscar Grånäs et al.   PHYSICAL REVIEW B

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

(2014) Hyowon Park 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

HubbardUand Hund exchangeJin transition metal oxides: Screening versus localization trends from constrained random phase approximation

(2012) Loïg Vaugier et al.   PHYSICAL REVIEW B

Highly Confined Spin-Polarized Two-Dimensional Electron Gas inSrTiO3/SrRuO3Superlattices

(2012) Marcos Verissimo-Alves et al.   PHYSICAL REVIEW LETTERS

Structure, physical properties, and applications ofSrRuO3thin films

(2012) Gertjan Koster et al.   REVIEWS OF MODERN PHYSICS

Strong Correlations from Hund’s Coupling

(2011) Antoine Georges et al.   Annual Review of Condensed Matter Physics

Double counting in LDA+DMFT—The example of NiO

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

First-principle electronic structure calculations for magnetic moment in iron-based superconductors: An LSDA+negative U study

(2009) H. Nakamura et al.   PHYSICA C-SUPERCONDUCTIVITY AND ITS APPLICATIONS

Unconventional electronic reconstruction in undoped(Ba,Sr)Fe2As2across the spin density wave transition

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

Evolution of the electronic structure of a ferromagnetic metal: Case ofSrRuO3

(2009) Priya Mahadevan et al.   PHYSICAL REVIEW B

Multipole decomposition ofLDA+Uenergy and its application to actinide compounds

(2009) Fredrik Bultmark et al.   PHYSICAL REVIEW B

Anisotropy and magnetism in theLSDA+Umethod

(2009) Erik R. Ylvisaker et al.   PHYSICAL REVIEW B

Anisotropy, Itineracy, and Magnetic Frustration in High-TCIron Pnictides

(2009) Myung Joon Han et al.   PHYSICAL REVIEW LETTERS

A key role for unusual spin dynamics in ferropnictides

(2008) I. I. Mazin et al.   Nature Physics

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

Problems with reconciling density functional theory calculations with experiment in ferropnictides

(2008) I. I. Mazin et al.   PHYSICAL REVIEW B

Neutron-Diffraction Measurements of Magnetic Order and a Structural Transition in the ParentBaFe2As2Compound of FeAs-Based High-Temperature Superconductors

(2008) Q. Huang et al.   PHYSICAL REVIEW LETTERS

Electron-Hole Symmetry and Magnetic Coupling in Antiferromagnetic LaFeAsO

(2008) Z. P. Yin et al.   PHYSICAL REVIEW LETTERS