Generalized Gradient Approximation Made Simple
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October 1996 |
Exploring the electronic and magnetic properties of new metal halides from bulk to two-dimensional monolayer: RuX3 (X = Br, I)
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April 2019 |
Projector augmented-wave method
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December 1994 |
Effective Coulomb interaction in transition metals from constrained random-phase approximation
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March 2011 |
Dynamic Spin Correlations in the Honeycomb Lattice Measured by Resonant Inelastic x-Ray Scattering
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May 2020 |
Excitations in the field-induced quantum spin liquid state of α-RuCl3
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February 2018 |
Correlated Quantum Phenomena in the Strong Spin-Orbit Regime
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March 2014 |
Tendencies in ABO3 Perovskite and SrF2, BaF2 and CaF2 Bulk and Surface F-Center Ab Initio Computations at High Symmetry Cubic Structure
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October 2021 |
Magnetoelectricity in multiferroics: a theoretical perspective
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February 2019 |
Recent ARPES experiments on quasi-1D bulk materials and artificial structures
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December 2008 |
Origin of Insulating Ferromagnetism in Iron Oxychalcogenide
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August 2021 |
Evidence for a Field-Induced Quantum Spin Liquid in -
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July 2017 |
Iron-Based Layered Superconductor La[O 1- x F x ]FeAs ( x = 0.05−0.12) with T c = 26 K
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March 2008 |
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
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October 2011 |
Magnetic states of the quasi-one-dimensional iron chalcogenide
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September 2021 |
Properties of under extreme tensile strain
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July 2020 |
Orbital-selective Peierls phase in the metallic dimerized chain
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August 2021 |
Peierls transition, ferroelectricity, and spin-singlet formation in monolayer
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March 2021 |
Successive magnetic phase transitions in : XY-like frustrated magnet on the honeycomb lattice
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March 2015 |
Gapless Spin Excitations in the Field-Induced Quantum Spin Liquid Phase of
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December 2017 |
Fingerprints of an orbital-selective Mott phase in the block magnetic state of BaFe2Se3 ladders
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June 2019 |
First-principles study of the low-temperature charge density wave phase in the quasi-one-dimensional Weyl chiral compound
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May 2020 |
The J eff = 1/2 Antiferromagnet Sr 2 IrO 4 : A Golden Avenue toward New Physics and Functions
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October 2019 |
: A spin-orbit assisted Mott insulator on a honeycomb lattice
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July 2014 |
Orbital-dependent singlet dimers and orbital-selective Peierls transitions in transition-metal compounds
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April 2014 |
Unveiling magnetic interactions of ruthenium trichloride via constraining direction of orbital moments: Potential routes to realize a quantum spin liquid
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August 2017 |
Electronic crystals: an experimental overview
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August 2012 |
Origin of the magnetic and orbital ordering in
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January 2021 |
Ab initiomolecular dynamics for liquid metals
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January 1993 |
Superconductivity in iron compounds
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December 2011 |
Kitaev-Heisenberg Model on a Honeycomb Lattice: Possible Exotic Phases in Iridium Oxides
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July 2010 |
Crystal structure and magnetism in : An ab initio study
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April 2016 |
Optical and transport properties of the magnetic semiconductor α-RuCl3
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March 1971 |
Hubbard and Hund exchange in transition metal oxides: Screening versus localization trends from constrained random phase approximation
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October 2012 |
Deriving models for the Kitaev spin-liquid candidate material from first principles
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August 2019 |
Orbital ordering in the layered perovskite material
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February 2021 |
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
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April 2010 |
Oxygen magnetic polarization, nodes in spin density, and zigzag spin order in oxides
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May 2021 |
Colloquium : The unexpected properties of alkali metal iron selenide superconductors
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May 2013 |
Phonon-phonon interactions in transition metals
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September 2011 |
Low-temperature crystal and magnetic structure of
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April 2016 |
Effect of the damping function in dispersion corrected density functional theory
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March 2011 |
Colossal magnetoresistant materials: the key role of phase separation
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April 2001 |
Proximate Kitaev quantum spin liquid behaviour in a honeycomb magnet
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April 2016 |
Honeycomb‐Structure RuI 3 , A New Quantum Material Related to α‐RuCl 3
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January 2022 |
Comparative Hybrid Hartree-Fock-DFT Calculations of WO2-Terminated Cubic WO3 as Well as SrTiO3, BaTiO3, PbTiO3 and CaTiO3 (001) Surfaces
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April 2021 |
Anyons in an exactly solved model and beyond
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January 2006 |
Monoclinic crystal structure of and the zigzag antiferromagnetic ground state
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December 2015 |
Unusual Thermal Hall Effect in a Kitaev Spin Liquid Candidate
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May 2018 |
Complexity in Strongly Correlated Electronic Systems
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July 2005 |
Novel Mott State Induced by Relativistic Spin-Orbit Coupling in
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August 2008 |
Possible highT c superconductivity in the Ba?La?Cu?O system
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June 1986 |
Neutron scattering in the proximate quantum spin liquid α-RuCl 3
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June 2017 |
Novel Magnetic Block States in Low-Dimensional Iron-Based Superconductors
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July 2019 |
Charge doping effects on magnetic properties of single-crystal high-entropy perovskite oxides
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September 2021 |
Direct experimental evidence of physical origin of electronic phase separation in manganites
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March 2020 |
Electronic properties of the narrow-band material α-
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May 1996 |
Generic Spin Model for the Honeycomb Iridates beyond the Kitaev Limit
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February 2014 |
Majorana quantization and half-integer thermal quantum Hall effect in a Kitaev spin liquid
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July 2018 |
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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October 1996 |
First principles phonon calculations in materials science
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November 2015 |
Relevance of the Heisenberg-Kitaev Model for the Honeycomb Lattice Iridates
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March 2012 |
Spin Waves and Revised Crystal Structure of Honeycomb Iridate
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March 2012 |
Correlated electrons in high-temperature superconductors
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July 1994 |
Majorana fermions in the Kitaev quantum spin system α-RuCl3
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September 2017 |
Kitaev magnetism in honeycomb with intermediate spin-orbit coupling
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June 2015 |
Superconductivity in an infinite-layer nickelate
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August 2019 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
Electron Localization in Solid-State Structures of the Elements: the Diamond Structure
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February 1992 |
Relation between Kitaev magnetism and structure in
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May 2017 |
Orbital-Selective Mott Transition out of Band Degeneracy Lifting
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March 2009 |
Nonmonotonic crossover in electronic phase separated manganite superlattices driven by the superlattice period
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December 2020 |
Ferroelectric ferrimagnetic : Charge-ordering-mediated magnetoelectricity
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December 2017 |
Strongly Electron-Correlated Semimetal RuI 3 with a Layered Honeycomb Structure
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December 2021 |
Frustrated Dipole Order Induces Noncollinear Proper Ferrielectricity in Two Dimensions
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August 2019 |
Multiferroicity due to charge ordering
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October 2008 |
Magnetism and its microscopic origin in iron-based high-temperature superconductors
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October 2012 |
Spin-orbit excitations and electronic structure of the putative Kitaev magnet
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February 2016 |
Quasi-one-dimensional ferroelectricity and piezoelectricity in halogens
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November 2019 |
Pressure-induced dimerization and valence bond crystal formation in the Kitaev-Heisenberg magnet
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June 2018 |
Quantum anomalous Hall effect in ferromagnetic transition metal halides
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January 2017 |
Iron telluride ladder compounds: Predicting the structural and magnetic properties of
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April 2020 |
Mott Insulators in the Strong Spin-Orbit Coupling Limit: From Heisenberg to a Quantum Compass and Kitaev Models
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January 2009 |
Description of the Honeycomb Mott Insulator
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September 2016 |
as a Molecular Orbital Crystal
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November 2012 |
A common thread: The pairing interaction for unconventional superconductors
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October 2012 |
Orbital Physics in Transition-Metal Oxides
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April 2000 |
Raman spectroscopy evidence for dimerization and Mott collapse in under pressures
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February 2019 |
Block–spiral magnetism: An exotic type of frustrated order
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June 2020 |