Showing 1–20 of 21 results
/ Date/ Name
Apr 7, 2012Rotationally-Invariant Exchange Interaction: The Case of Paramagnetic IronSep 24, 1999LDA+DMFT study for $La_{1-x}Sr_{x}TiO_{3}$Nov 13, 2003Non-local Coulomb interactions and metal-insulator transition in Ti$_2$O$_3$: a cluster LDA+DMFT approachMar 22, 2026Orbital-specific Itinerancy and Localization in a Kagome MagnetDec 25, 2009First-principles investigation of uranium monochalcogenidesFeb 24, 2025Highly correlated electronic state in a ferrimagnetic quadruple perovskite CuCu$_3$Fe$_2$Re$_2$O$_{12}$Mar 25, 2014Electronic correlations determine the phase stability of iron up to the melting temperatureApr 19, 2010Evidence for strong Coulomb correlations in metallic phase of vanadium dioxideAug 25, 2010Electronic correlations at the alpha-gamma structural phase transition in paramagnetic ironOct 3, 2011Calculated phonon spectra of paramagnetic iron at the alpha-gamma phase transitionOct 8, 2012Magnetic fluctuations and effective magnetic moments in γ-iron due to electronic structure peculiaritiesNov 19, 2014Structural ${γ\textrm{-}\varepsilon}$ phase transition in Fe-Mn alloys from CPA+DMFT approachOct 12, 2009Orbital selective local moment formation in iron: first principle route to an effective modelJul 16, 2009Electronic structure of V2O3: Wannier orbitals from LDA-$N$MTO calculationsJun 21, 2019XPS evidence of degradation mechanism in hybrid halide perovskitesDec 3, 2015Many-body effects on Cr(001) surfaces: An LDA+DMFT studyMay 12, 2000Calculation of photoemission spectra of the doped Mott insulator La_{1-x}Sr_xTiO_3 using LDA+DMFT(QMC)Apr 28, 1997First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field TheoryMay 14, 1997First-principles calculations for Fe impurities in KNbO3May 23, 2017Unexpected 3+ valence of iron in FeO$_2$, a geologically important material lying "in between" oxides and peroxides