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Strong Spin-Lattice Coupling Through Oxygen Octahedral Rotation in Divalent Europium Perovskites
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Turning ABO 3 Antiferroelectrics into Ferroelectrics: Design Rules for Practical Rotation-Driven Ferroelectricity in Double Perovskites and A 3 B 2 O 7 Ruddlesden-Popper Compounds
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May 2013 |
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Ferroelectric Sr 3 Zr 2 O 7 : Competition between Hybrid Improper Ferroelectric and Antiferroelectric Mechanisms
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May 2018 |
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Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
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April 2012 |
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The First Room-Temperature Ferroelectric Sn Insulator and Its Polarization Switching Kinetics
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October 2016 |
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Improper Inversion Symmetry Breaking and Piezoelectricity through Oxygen Octahedral Rotations in Layered Perovskite Family, Li R TiO 4 ( R = Rare Earths)
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December 2015 |
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Giant Negative Thermal Expansion in the Iron Perovskite SrCu3Fe4O12
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June 2011 |
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Analytic projection from plane-wave and PAW wavefunctions and application to chemical-bonding analysis in solids
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September 2013 |
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LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory
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June 2020 |
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A-site magnetism in A-site-ordered perovskite-structure oxides
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December 2011 |
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Neutron Powder Diffraction Study of the Crystal Structures of Sr2RuO4 and Sr2IrO4 at Room Temperature and at 10 K
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October 1994 |
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New La2/3TiO3 Derivatives: Structure and Impedance Spectroscopy
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Superexchange interaction and symmetry properties of electron orbitals
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July 1959 |
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The relation of the electrical conductivity in single crystals of rhenium trioxide to the conductivities of Sr2MgReO6 and NaxWO3
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Synthesis and ionic conductivity of novel layered perovskite compounds, AgLaTiO4 and AgEuTiO4
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Recent advances in magnetic structure determination by neutron powder diffraction
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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
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Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family
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An efficient ab-initio quasiharmonic approach for the thermodynamics of solids
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Low temperature magnetic properties of layered compounds: NaLnTiO4 (Ln = Sm, Eu, Gd, Tb, Dy, Ho and Er)
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Design and performance of the new supermirror guide on HRPD at ISIS
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First principles phonon calculations in materials science
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November 2015 |
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Anisotropic thermal expansion in Sr2RhO4 – A variable temperature Synchrotron X-ray diffraction study
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November 2015 |
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Origin and Absence of Giant Negative Thermal Expansion in Reduced and Oxidized Ca2RuO4
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September 2021 |
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Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO 4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity
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December 2016 |
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Theory and Neutrons Combine To Reveal a Family of Layered Perovskites without Inversion Symmetry
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October 2017 |
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Cation Exchange as a Mechanism To Engineer Polarity in Layered Perovskites
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November 2018 |
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Tolerance Factor Control of Uniaxial Negative Thermal Expansion in a Layered Perovskite
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November 2019 |
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Covalency Competition in the Quadruple Perovskite CdCu 3 Fe 4 O 12
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July 2017 |
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Perovskite-Type InCoO3 with Low-Spin Co3+: Effect of In–O Covalency on Structural Stabilization in Comparison with Rare-Earth Series
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September 2017 |
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AgFeOF2: A Fluorine-Rich Perovskite Oxyfluoride
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May 2018 |
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High-Pressure Synthesis, Crystal Structure, Chemical Bonding, and Ferroelectricity of LiNbO 3 -Type LiSbO 3
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December 2018 |
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Structural Modifications Induced by Composition in the La1.33-xNa3xTi2O6 Perovskites: A Neutron Diffraction Study
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Crystal-Chemistry Guidelines for Noncentrosymmetric A 2 BO 4 Ruddlesden−Popper Oxides
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December 2013 |
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AgCu3V4O12: a Novel Perovskite Containing Mixed-Valence Silver ions
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December 2013 |
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Origin of Ferroelectricity in a Family of Polar Oxides: The Dion—Jacobson Phases
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March 2014 |
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Cation Exchange in a 3D Perovskite—Synthesis of Ni0.5TaO3
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July 2014 |
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Orbital Hybridization and Magnetic Coupling of the A-Site Cu Spins in CaCu3B4O12 (B = Ti, Ge, and Sn) Perovskites
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Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
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Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF 3
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The Role of Spontaneous Polarization in the Negative Thermal Expansion of Tetragonal PbTiO 3 -Based Compounds
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July 2011 |
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Hybrid Improper Ferroelectricity in (Sr,Ca) 3 Sn 2 O 7 and Beyond: Universal Relationship between Ferroelectric Transition Temperature and Tolerance Factor in n = 2 Ruddlesden–Popper Phases
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October 2018 |
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Crystal Orbital Hamilton Population (COHP) Analysis As Projected from Plane-Wave Basis Sets
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June 2011 |
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Origin of the Ferrielectricty and Visible-Light Photocatalytic Activity of Silver Niobate AgNbO3
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November 2012 |
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Why Are There So Few Perovskite Ferroelectrics?
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May 2013 |
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Temperature-induced A–B intersite charge transfer in an A-site-ordered LaCu3Fe4O12 perovskite
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March 2009 |
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Colossal negative thermal expansion in BiNiO3 induced by intermetallic charge transfer
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June 2011 |
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Colossal negative thermal expansion in reduced layered ruthenate
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January 2017 |
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Ferromagnetism induced by entangled charge and orbital orderings in ferroelectric titanate perovskites
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March 2015 |
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Rotation-reversal symmetries in crystals and handed structures
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April 2011 |
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Experimental demonstration of hybrid improper ferroelectricity and the presence of abundant charged walls in (Ca,Sr)3Ti2O7 crystals
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January 2015 |
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The origin of uniaxial negative thermal expansion in layered perovskites
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October 2017 |
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Negative thermal expansion in high pressure layered perovskite Ca 2 GeO 4
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January 2019 |
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Synthesis of the perovskite-type oxyfluoride AgTiO2F: an approach adopting the HSAB principle
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January 2020 |
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Negative thermal expansion materials †
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January 1999 |
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Novel indates Ln2BaIn2O7, n = 2 members of the Ruddlesden–Popper family (Ln = La, Nd)
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May 2003 |
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June 2006 |
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Influence of the exchange screening parameter on the performance of screened hybrid functionals
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December 2006 |
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AgNbO3: A lead-free material with large polarization and electromechanical response
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June 2007 |
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Ferroelectricity triggered in the quantum paraelectric AgTaO3 by Li-substitution
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December 2009 |
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High mobility of the strongly confined hole gas in AgTaO3/SrTiO3
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May 2012 |
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High-throughput powder diffraction measurement system consisting of multiple MYTHEN detectors at beamline BL02B2 of SPring-8
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August 2017 |
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Theory of the Role of Covalence in the Perovskite-Type Manganites [ La , M ( II ) ] Mn O 3
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
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January 1998 |
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From ultrasoft pseudopotentials to the projector augmented-wave method
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January 1999 |
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Magnetovolume effect in Mn 3 Cu 1 − x Ge x N related to the magnetic structure: Neutron powder diffraction measurements
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January 2008 |
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Mechanism for suppression of ferroelectricity in Cd 1 − x Ca x TiO 3
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November 2011 |
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Observation of persistent centrosymmetricity in the hexagonal manganite family
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May 2012 |
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Interplay of octahedral rotations and breathing distortions in charge-ordering perovskite oxides
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August 2013 |
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Ferroelectricity from coupled cooperative Jahn-Teller distortions and octahedral rotations in ordered Ruddlesden-Popper manganates
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July 2015 |
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Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO 3 with first-principles anharmonic force constants
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August 2015 |
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Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
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Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling
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March 2011 |
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Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper Na R TiO 4 Family
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May 2014 |
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Negative Thermal Expansion in Hybrid Improper Ferroelectric Ruddlesden-Popper Perovskites by Symmetry Trapping
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January 2015 |
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Interplay between Phonons and Anisotropic Elasticity Drives Negative Thermal Expansion in PbTiO 3
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Charge Disproportionation in R NiO 3 Perovskites: Simultaneous Metal-Insulator and Structural Transition in YNiO 3
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A -site cation size effect on oxygen octahedral rotations in acentric Ruddlesden-Popper alkali rare-earth titanates
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November 2001 |
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Jahn–Teller distortions, cation ordering and octahedral tilting in perovskites
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Tilt engineering of spontaneous polarization and magnetization above 300 K in a bulk layered perovskite
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Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery
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March 2012 |
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Ferroelectricity of Dion–Jacobson layered perovskites CsNdNb 2 O 7 and RbNdNb 2 O 7
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August 2020 |