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RESEARCH PAPER · Journal of the American Chemical Society · 2013

High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO 3 -Type Polar Titanate ZnTiO 3 and Its Reinforced Polarity by the Second-Order Jahn–Teller Effect

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High-Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO 3 -Type Polar Titanate ZnTiO 3 and Its Reinforced Polarity by the Second-Order Jahn–Teller EffectOriginalHigh-Pressure Synthesis of A-Site Ordered Double Perovskite CaMnTi2O6 and Ferroelectricity Driven by Coupling of A-Site Ordering and the Second-Order Jahn–Teller Effect90Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics80Role of Acentric Displacements on the Crystal Structure and Second-Harmonic Generating Properties of RbPbCO3F and CsPbCO3F90ChemInform Abstract: High‐Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO3‐Type Polar Titanate ZnTiO3 and Its Reinforced Polarity by the Second‐Order Jahn—Teller Effect.0Local structure of Cu x Zn2− x TiO4 inverse spinel12Comparison of the acentric properties for the oxide crystals2Room-Temperature Polar Ferromagnet ScFeO 3 Transformed from a High-Pressure Orthorhombic Perovskite Phase104MnTaO2N: Polar LiNbO3‐type Oxynitride with a Helical Spin Order47MnTaO2N: Polar LiNbO3‐type Oxynitride with a Helical Spin Order10Doping mechanism of Zn 2+ ions in Zn-doped TiO 2 prepared by a sol–gel method59Ferroelectricity in Strategically Synthesized Pb-free LiNbO3-type ZnSnO3Nanostructure Arrayed Thick Films1Freeze-drying synthesis and characterisation of Na composites of ZnO, TiO2 and ZnTiO3 semiconductor oxides5Measurements of Polarization Switching in LiNbO3-type ZnSnO3/ZnO Nanocomposite Thin Films1High-pressure phase behaviors of ZnTiO3: ilmenite–perovskite transition, decomposition of perovskite into constituent oxides, and perovskite–lithium niobate transition19Induced Aqueous Synthesis of Metastable β-Bi2O3 Microcrystals for Visible-Light Photocatalyst Study130Synthesis and high (pressure, temperature) stability of ZnTiO3 polymorphs studied by Raman spectroscopy28Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling80Aqueous Synthesis and Visible‐Light Photochromism of Metastable h‐WO3 Hierarchical Nanostructures42Ferroelectric soft mode of polar ZnTiO3 investigated by Raman spectroscopy at high pressure20A Protocol to Fabricate Nanostructured New Phase: B31-Type MnS Synthesized under High Pressure102A new LiNbO3-type polar oxide with closed-shell cations: ZnPbO320Synthesis, Direct Formation under High Pressure, Structure, and Electronic Properties of LiNbO3-type Oxide PbZnO335Lithium Niobate-Type Oxides as Visible Light Photovoltaic Materials31Synthesis of ZnSnO3 nanostructure by sol gel method22ZnSnS3: Structure Prediction, Ferroelectricity, and Solar Cell Applications8Effect of Cu-doping on structural, optical and photoluminescence properties of zinc titanates synthesized by solid state reaction15Comparative studies on the room-temperature ferrielectric and ferrimagnetic Ni3TeO6-type A2FeMoO6 compounds (A = Sc, Lu)14LiNbO3-Type Oxide (Tl1–xScx)ScO3: High-Pressure Synthesis, Crystal Structure, and Electronic Properties6Piezopotential‐Induced Schottky Behavior of Zn 1− x SnO 3 Nanowire Arrays and Piezophotocatalytic Applications68Low‐Temperature Cationic Rearrangement in a Bulk Metal Oxide23Low‐Temperature Cationic Rearrangement in a Bulk Metal Oxide3LiNbO3-Type InFeO3: Room-Temperature Polar Magnet without Second-Order Jahn–Teller Active Ions51Removal of Nitrate by Photocatalytic Denitrification Using Nonlinear Optical Material126Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering37ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure28Defect Behaviors in Zinc Oxide and Zinc Titanates Ceramics from First Principles Computer Simulations0First-principles study on the dielectric and transport properties of the LiNbO3-type CdPbO30Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals16Polar Magnets in Double Corundum Oxides60First-principles examination of low tolerance factor perovskites8High‐Pressure Perovskite: Synthesis, Structure, and Phase Relation5Multiferroic Double Perovskites ScFe1−xCrxO3 ( 1/6≤x≤5/6 ) for Highly Efficient Photovoltaics and Spintronics31The Power of Heterometalation through Lithium for Helix Chain-Based Noncentrosymmetric Metal–Organic Frameworks with Tunable Second-Harmonic Generation Effects19Synthesis of New LiNbO3-type Oxynitrides, Mn(Mn1/6Ta5/6)O2.5N0.5 under High Pressure and at High Temperature6Photovoltaic effect in ferroelectrics14Structural Relaxation of Oxide Compounds from the High-Pressure Phase4First-principles study on the stability and magnetoelectric properties of multiferroic materials XTiO3 (X = Mn, Fe, Co, Ni)6Energetics of oxygen-octahedra rotations in perovskite oxides from first principles42Engineered Photocatalytic Material Membrane Assemblies for Removing Nitrate from Water33First-principles analysis of ferroelectric transition in MnSnO3 and MnTiO3 perovskites14A strategy to develop an efficient piezoelectric nanogenerator through ZTO assisted γ-phase nucleation of PVDF in ZTO/PVDF nanocomposite for harvesting bio-mechanical energy and energy storage application97Asymmetric covalence bonding between In 5s and O 2p states in ferroelectric InFeO39Multiferroism and magnetic ordering in new NiBO3 (B = Ti, Ge, Zr, Sn, Hf and Pb) materials: A DFT study17Improvement of multiferroic property and change of magnetic ordering in new ANiO3 (A = Ti, Ge, Zr, Sn, Hf and Pb)15Influence of Tm, Ho and Er dopants on the properties of Yb activated ZnTiO3perovskite: a density functional theory insight25Modélisation des propriétés magnétiques et multiferroïques d'oxydes de cuivre0Synthesis of zinc based hierarchical microspheres photocatalyst and their enhanced photocatalytic activity6First-principles calculations and Raman scattering evidence for local symmetry lowering in rhombohedral ilmenite: temperature- and pressure-dependent studies18High-Pressure Synthesis, Crystal Structure, Chemical Bonding, and Ferroelectricity of LiNbO3-Type LiSbO329Thermal expansion, compressibility and bulk modulus of ilmenite-type CoTiO3: X-ray diffraction at high pressures and temperatures8Thin-film stabilization of LiNbO3-type ZnSnO3 and MgSnO3 by molecular-beam epitaxy33Growth and properties of spinel structure Zn 1.8 Co 0.2 TiO 4 single crystals by the optical floating zone method20Predicted polymorph manipulation in an exotic double perovskite oxide13Bi2Te2O6(NO3)2(OH)2(H2O): A layered bismuth tellurium nitrate hydroxide with multiple noncentrosymmetric chromophores14Layered Bismuth Oxyfluoride Nitrates Revealing Large Second-Harmonic Generation and Photocatalytic Properties37Magnetic Ordering in Ilmenites and Corundum-Ordered Structures2Theoretical prediction of piezoelectric property of new LiNbO3-type compound AlTlO30Magnetic, electronic, ferroelectric, structural and topological analysis of AlFeO3, FeAlO3, FeVO3, BiFeO3 and PbFeO3 materials: Theoretical evidences of magnetoelectric coupling37Pressure-induced polymorphism and piezochromism in Mn2FeSbO66Raman, EPR and structural studies of novel CuZrNb2O8 ceramic for LTCC applications18Identification of ZnTiO3 nanostructures in oxidized TiN/ZnS thin films using X-ray absorption spectroscopy6Theoretical study of stability and optical absorption properties of ferroelectric materials ZnXO3 (X=Ge, Sn and Pb)2First-principles investigation of the ferroelectric, piezoelectric and nonlinear optical properties of LiNbO3-type ZnTiO328Na2Mg1−xZnxSiO4 (0 ≤ x ≤ 1): Noncentrosymmetric Sodium Metal Silicate Solid Solutions with Ultraviolet Nonlinear Optical Properties71Cation- and anion-ordered rutile-type derivative LiTeO 3 (OH)4Synthesis of the perovskite-type oxyfluoride AgTiO 2 F: an approach adopting the HSAB principle12Abnormal lattice occupation of Mo and related polarons in LiNbO3: Hybrid density functional theory investigation4Universal A-Cation Splitting in LiNbO3-Type Structure Driven by Intrapositional Multivalent Coupling11Perovskite-Type CuNbO3 Exhibiting Unusual Noncollinear Ferrielectric to Collinear Ferroelectric Dipole Order Transition14High-Pressure Synthesis, Crystal Structures, and Properties of A‑Site Columnar-Ordered Quadruple Perovskites NaRMn2Ti4O12 with R = Sm, Eu, Gd, Dy, Ho, Y13Laser-Enhanced Single Crystal Growth of Non-Symmorphic Materials: Applications to an Eight-Fold Fermion Candidate21Oxygen Evolution Catalysis for Iron Oxides with Various Structures10(Bi13Co11)Co2O40–Co3O4 composites: Synthesis, structural and magnetic properties11Data-driven computational prediction and experimental realization of exotic perovskite-related polar magnets25Intrinsic ferromagnetic semiconductors in rhombohedral R MnO 3 ( R = Sc, Y, and Lu) with high critical temperature and large ferroelectric polarization2Ferrimagnetic and relaxor ferroelectric properties of R 2 MnMn(MnTi 3 )O 12 perovskites with R = Nd, Eu, and Gd11Pressure-Induced High-κ Dielectric Properties and Multiple Phase Transitions between Novel Nonperovskite and Perovskite Phases in LiSbO3: A First-Principles Study5DFT Approaches for Smart Materials with Ferroelectric Properties1Surface and morphological studies of LiNbO 3 : p-type semiconductivity on stoichiometric surfaces11Systematic centricity control using a chiral template: novel noncentrosymmetric polar niobium oxyfluorides and tantalum fluorides directed by chiral histidinium cations, [( l -hisH 2 )NbOF 5 ], [( d -hisH 2 )NbOF 5 ], [( l -hisH 2 )TaF 7 ], and [( d -hisH 2 )TaF 7 ]8Polarization- and Strain-Mediated Control of Negative Thermal Expansion and Ferroelasticity in BiInO3–BiZn1/2Ti1/2O37Examination of possible high-pressure candidates of SnTiO3: The search for novel ferroelectric materials6Effect of B-Site Order–Disorder in the Structure and Magnetism of the New Perovskite Family La2MnB′O6 with B′ = Ti, Zr, and Hf13Tuning mechanical properties, ferroelectric properties and electronic structure in R3c-MgSnO3 by compressive strain: A first-principle study15First-Principles Investigation into Hybrid Improper Ferroelectricity in Ruddlesden–Popper Perovskite Chalcogenides Sr3B2X7 (B = Ti, Zr, Hf; X = S, Se)7Enhanced Sunlight-Driven Reactive Species Generation via Polarization Field in Nanopiezoelectric Heterostructures16DFT Study of Methylene Blue Adsorption on ZnTiO3 and TiO2 Surfaces (101)65Robust Yellow-Violet Pigments Tuned by Site-Selective Manganese Chromophores12Phase transition and electrical properties of Cu2SnSe3 nanocrystals under high pressure1Formation of ilmenite-type single-crystalline MgTiO3 thin films by pulsed-laser deposition8Methodological Approach to the High-Pressure Synthesis of Nonmagnetic Li2B4+B′6+O6 Oxides19Chemical design of a new displacive-type ferroelectric20Crystal Chemistry, Phase Relations, and Energetics of High-Pressure ABO3 Perovskites1Facile Synthesis, and Low Force Mechanical Energy Harvesting of Zinc Titanate (ZnTiO3) Nanoparticles1High-power energy harvesting and imperceptible pulse sensing through peapod-inspired hierarchically designed piezoelectric nanofibers48Topochemical Synthesis of LiCoF3 with a High-Temperature LiNbO3-Type Structure1Suppression of Pressure-Induced Phase Transitions in a Monoclinically Distorted LiNbO3-Type CuNbO3 by Preference for a CuO3 Triangular Coordination Environment2High pressure studies of transition metal oxides5Comparative Study on the Magnetic and Transport Properties of B-Site Ordered and Disordered CaCu 3 Fe 2 Os 2 O 1212First principle studies of TiO2-ZnO alloys under high pressure2Bonding and Electronic Nature of the Anionic Framework in LaPd3S43Second-order Jahn–Teller effect induced high-temperature ferroelectricity in two-dimensional NbO 2 X (X = I, Br)3Emerging ferroelectricity and piezoelectric energy harvesting properties in lead-free zinc titanate nanocrystals23BaMo3O10 Polymorphs with Tunable Symmetries and Properties3Enhancing second harmonic generation response in infrared nonlinear optical material through Pb substitution: A study of LiPbSiS compound2Lattice pinning in MoO3 via coherent interface with stabilized Li+ intercalation72Comparison of carrier doping in ZnSnO 3 and ZnTiO 3 from first principles3Theoretical Justification of Structural, Magnetoelectronic and Optical Properties in QFeO3 (Q = Bi, P, Sb): A First-Principles Study12First-principles study of oxygen vacancies in LiNbO 3 -type ferroelectrics3Metallic ruthenium ilmenites: First-principles study of MgRuO3 and CdRuO30Rapid nucleation and optimal surface–ligand interaction stabilize wurtzite MnSe1Synthesis, crystal structure and investigation of ion-exchange possibility for sodium tellurate NaTeO 3 (OH)3Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance3Structural Distortion in the Wadsley‐Roth Niobium Molybdenum Oxide Phase Triggering Extraordinarily Stable Battery Performance26Theoretical exploration of ternary nitrides for high-efficiency ferroelectric photovoltaics5Tuning of the ferroelectric and optical properties of ZnSnO3 with transition metals: Mn, Cr and Co4Exploring ferroelectric and photovoltaic attributes of Pna21-LaWN3: A first-principles approach9Zn-based oxide perovskite nanocomposites for energy and sensing applications10Exploring the ferroelectric photocatalytic potential of R3c-structured InVO3: A computational study2Lattice evolution, order transformation, and microwave dielectric properties of the Zn 1− x Li 2 x TiO 3 (0 ≤ x ≤ 1) system ceramics46Landscape of Thermodynamic Stabilities of A2BB′O6 Compounds15Phase transformation of ferric-iron-rich silicate in Earth’s mid-mantle0Data-Driven High-Throughput Screening and Experimental Realization of Ag2B(IV)B′(VI)O6 under Negative Chemical-Pressure1Comprehensive investigation of structural, magnetic, electronic, optical, mechanical, and piezoelectric properties of ATiO 3 (A = Mn, Fe, Ni) compounds for sustainable energy materials6Zipper‐Like Dynamic Switching of Coordination Bonds Gives a Polar Bimetallic Halide Toward Self‐Driven X‐Ray Detection14Zipper‐Like Dynamic Switching of Coordination Bonds Gives a Polar Bimetallic Halide Toward Self‐Driven X‐Ray Detection3Fluorescence temperature dependent behaviors of Eu3+/Mn4+ co-doping cubic and hexagonal ZnO-TiO2 compounds: Application in high sensitive optical thermometers8A computational and Raman spectroscopic study of successive phase transitions in Co 3 TeO 6 under high pressure and high temperature1A dielectric material, Zr0.10Ta0.90O2.45, with a noncentrosymmetric L-Ta2O5-related structure2Unraveling metastable perovskite oxides insights from structural engineering to synthesis paradigms17LiMnO2 cathodes: Taming Jahn-Teller distortions via local symmetry engineering and multi-scale structural design3Advances in metastable phase catalysis with thermodynamic-kinetic adaptability13Supercritical CO2-Modulated Anisotropic Lattice Distortion in ZnSnO3 for Obtaining Room-Temperature Ferromagnetism3Structural, optical and photoresponse properties of high-quality MgSnO3 epitaxial films deposited by PLD method0Oxygen-Vacancy-Induced Electronic Structure Modulation in ZnTiO3 Perovskite: A Combined DFT and SCAPS-1D Study Toward Photovoltaic Applications2A High-Performance Triboelectric Nanogenerator Incorporating Solid-State Synthesized ZnTiO 3 Nanoparticles4Multifunctional properties of Mn-Fe-Ni A-Site alloyed titanate perovskites for energy-harvesting applications: a first-principles study0Rational synthesis of a new Haldane chain compound by predicted pressure-induced phase modification0Novel ZnTiO3-based photocatalysts: nanostructured catalyst design, mechanisms, and applications toward efficient solar-fuel and pollutants degradation2First-principles calculations of the effect of doping on the ZnGeO 3 of LiNbO 3 -type ferroelectrics0

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  2. Designing Polar and Magnetic Oxides: Zn2FeTaO6 - in Search of Multiferroics

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  4. ChemInform Abstract: High‐Pressure Synthesis, Crystal Structure, and Phase Stability Relations of a LiNbO3‐Type Polar Titanate ZnTiO3 and Its Reinforced Polarity by the Second‐Order Jahn—Teller Effect.

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  5. Local structure of Cu x Zn2− x TiO4 inverse spinel

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  7. Room-Temperature Polar Ferromagnet ScFeO 3 Transformed from a High-Pressure Orthorhombic Perovskite Phase

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  8. MnTaO2N: Polar LiNbO3‐type Oxynitride with a Helical Spin Order

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  9. MnTaO2N: Polar LiNbO3‐type Oxynitride with a Helical Spin Order

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  10. Doping mechanism of Zn 2+ ions in Zn-doped TiO 2 prepared by a sol–gel method

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  11. Ferroelectricity in Strategically Synthesized Pb-free LiNbO3-type ZnSnO3Nanostructure Arrayed Thick Films

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  14. High-pressure phase behaviors of ZnTiO3: ilmenite–perovskite transition, decomposition of perovskite into constituent oxides, and perovskite–lithium niobate transition

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  17. Predicting a Ferrimagnetic Phase of Zn2FeOsO6 with Strong Magnetoelectric Coupling

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  21. A new LiNbO3-type polar oxide with closed-shell cations: ZnPbO3

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  30. Low‐Temperature Cationic Rearrangement in a Bulk Metal Oxide

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  31. Low‐Temperature Cationic Rearrangement in a Bulk Metal Oxide

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  32. LiNbO3-Type InFeO3: Room-Temperature Polar Magnet without Second-Order Jahn–Teller Active Ions

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  33. Removal of Nitrate by Photocatalytic Denitrification Using Nonlinear Optical Material

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  34. Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering

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  35. ZnTaO2N: Stabilized High-Temperature LiNbO3-type Structure

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  36. Defect Behaviors in Zinc Oxide and Zinc Titanates Ceramics from First Principles Computer Simulations

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  37. First-principles study on the dielectric and transport properties of the LiNbO3-type CdPbO3

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  38. Comparative Interrelationship of the Structural, Nonlinear-Optical and Other Acentric Properties for Oxide, Borate and Carbonate Crystals

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  39. Polar Magnets in Double Corundum Oxides

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  40. First-principles examination of low tolerance factor perovskites

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  41. High‐Pressure Perovskite: Synthesis, Structure, and Phase Relation

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