Predictive Determination of Band Gaps of Inorganic Halide Perovskites
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October 2017 |
Dynamic symmetry breaking and spin splitting in metal halide perovskites
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August 2018 |
Electronic structures, magnetism, and phonon spectra in the metallic cubic perovskite
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July 2014 |
The introduction of structure types into the Inorganic Crystal Structure Database ICSD
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August 2007 |
Zur Elektronentheorie der Metalle. I
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January 1931 |
Emergence of Long-Range Order in from Local Symmetry-Breaking Distortions
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May 2016 |
Recent developments in the Inorganic Crystal Structure Database: theoretical crystal structure data and related features
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September 2019 |
X‐Ray Diffractometry of Low‐Temperature Phase Transformations in Strontium Titanate
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July 1964 |
Origin of Low Carrier Mobilities in Halide Perovskites
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January 2019 |
Octahedral Tilting in Perovskites. II. Structure Stabilizing Forces
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February 1997 |
Displacive-order-disorder crossover at the ferroelectric-paraelectric phase transitions of BaTiO3 and LiTaO3
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January 1982 |
Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures
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July 2020 |
XAFS Study of Local Structure Change in Perovskite Titanates
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January 2005 |
False metals, real insulators, and degenerate gapped metals
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December 2020 |
Structural Phase Transitions of the Polymorphs of CsSnI3 by Means of Rietveld Analysis of the X-Ray Diffraction
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May 1991 |
The AFLOW Library of Crystallographic Prototypes: Part 1
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August 2017 |
Key Role of Covalent Bonding in Octahedral Tilting in Perovskites
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January 2010 |
Octahedral Tilting in Perovskites. I. Geometrical Considerations
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February 1997 |
The origin of ferroelectricity in magnetoelectric YMnO3
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February 2004 |
Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite
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October 2016 |
Accurate Molecular Van Der Waals Interactions from Ground-State Electron Density and Free-Atom Reference Data
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February 2009 |
Structural, electronic and elastic properties of the cubic CaTiO 3 under pressure: A DFT study
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July 2015 |
Mass enhancement in and perovskites from symmetry breaking
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April 2021 |
The ferroelectric and cubic phases in BaTiO3 ferroelectrics are also antiferroelectric
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September 2006 |
The β-to-γ Transition in BiFeO3: A Powder Neutron Diffraction Study
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June 2010 |
Covalency and the metal-insulator transition in titanate and vanadate perovskites
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April 2014 |
Second harmonic light scattering in paraelectric perovskites
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November 1990 |
New developments in the Inorganic Crystal Structure Database (ICSD): accessibility in support of materials research and design
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May 2002 |
Algorithm for systematic peak extraction from atomic pair distribution functions
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May 2015 |
Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
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April 2012 |
Composite Structure of BaTiO 3 Nanoparticle Investigated by SR X-Ray Diffraction
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May 2002 |
Electronic and optical properties of BaTiO3 and SrTiO3
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August 2001 |
Coherent Potential Approximation: Basic concepts and applications
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January 1973 |
Local properties of the electronic structure of cubic SrTiO3, BaTiO3 and PbTiO3 crystals, analysed using Wannier-type atomic functions
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August 2003 |
Performance of a new furnace for high-resolution synchrotron powder diffraction up to 1900 K: application to determine electron density distribution of the cubic CaTiO 3 perovskite at 1674 K
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September 2004 |
Energetics, Structures, and Phase Transitions of Cubic and Orthorhombic Cesium Lead Iodide (CsPbI 3 ) Polymorphs
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September 2019 |
Electronic structure, chemical bonding, and optical properties of paraelectric
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October 2000 |
Elastic excitations in BaTiO single crystals and ceramics: Mobile domain boundaries and polar nanoregions observed by resonant ultrasonic spectroscopy
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January 2013 |
Neutron Diffraction Study of Orthorhombic BaTi
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February 1957 |
Orbital Fluctuations in the Different Phases of and
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September 2007 |
Interplay of Octahedral Rotations and Lone Pair Ferroelectricity in CsPbF 3
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August 2015 |
Realistic Modeling of Strongly Correlated Electron Systems: an Introduction to the Lda+Dmft Approach
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August 2001 |
Spontaneous Octahedral Tilting in the Cubic Inorganic Cesium Halide Perovskites CsSnX 3 and CsPbX 3 (X = F, Cl, Br, I)
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September 2017 |
Phase Transitional Behavior and Electrical Properties of Sr2K0.1Na0.9Nb5−xTaxO15 Ceramics: Rapid Communications of the American Ceramic Society
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November 2010 |
Electronic, optical and elastic properties of cubic perovskite CsPbI3: Using first principles study
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December 2016 |
Structural, electronic and optical properties of cubic SrTiO3 and KTaO3: Ab initio and GW calculations
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July 2012 |
A new perspective on lone pair dynamics in halide perovskites
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May 2020 |
Searching for promising new perovskite-based photovoltaic absorbers: the importance of electronic dimensionality
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January 2017 |
Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
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July 2013 |
Character of Order-Disorder and Displacive Components in Barium Titanate
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July 2004 |
Coupled displacive and order–disorder dynamics in LiNbO3 by molecular-dynamics simulation
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March 2004 |
Ab initio studies of phonons in CaTiO3
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February 2001 |
Effective Band Structure of Random Alloys
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June 2010 |
Theoretical Model for Explaining the Ferroelectric Effect in Barium Titanate
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December 1948 |
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
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April 2008 |
The classification of tilted octahedra in perovskites
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November 1972 |
Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
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January 1996 |
Neutron Total Scattering Studies of Group II Titanates (ATiO3, A2+ = Mg, Ca, Sr, Ba)
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February 2020 |
A profile refinement method for nuclear and magnetic structures
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June 1969 |
Structurally triggered metal-insulator transition in rare-earth nickelates
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November 2017 |
Formation and Composition-Dependent Properties of Alloys of Cubic Halide Perovskites
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February 2019 |
Versatile helimagnetic phases under magnetic fields in cubic perovskite
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August 2011 |
Mott gapping in perovskites without Mott-Hubbard interelectronic repulsion energy U
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July 2019 |
Near-Surface Structural Phase Transition of Studied with Zero-Field -Detected Nuclear Spin Relaxation and Resonance
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April 2006 |
Origin of band gaps in 3d perovskite oxides
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April 2019 |
First principles study of electronic structure and optical properties of CaTiO3
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November 2000 |