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RESEARCH PAPER · Journal of Physics Condensed Matter · 2015

Anharmonic lattice interactions in improper ferroelectrics for multiferroic design

Joshua Young, Alessandro Stroppa, Silvia Picozzi, James M. Rondinelli

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Anharmonic lattice interactions in improper ferroelectrics for multiferroic designOriginalDesign of noncentrosymmetric perovskites from centric and acentric basic building units39Hybrid improper ferroelectricity in SrZrO 3 /BaZrO 3 superlattice9Molecular Motion and Dynamic Crystal Structures of Hybrid Halide Perovskites15What Is Moving in Hybrid Halide Perovskite Solar Cells?490Octahedral Rotation Preferences in Perovskite Iodides and Bromides145Non-collinear magnetism in multiferroic perovskites157Strain-Engineered Multiferroicity in Pnma NaMnF3 Fluoroperovskite44Interplay between electron correlations and polar displacements in metallic SrEuMo2O66Constructing a magnetic handle for antiferromagnetic manganites4An efficient ab-initio quasiharmonic approach for the thermodynamics of solids89Anisotropic symmetric exchange as a new mechanism for multiferroicity36Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides113First-principles reinvestigation of bulk WO 361To superspace and beyond1Designing new ferroelectrics with a general strategy112Characteristics and controllability of vortices in ferromagnetics, ferroelectrics, and multiferroics99Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order43Aperiodic topological order in the domain configurations of functional materials83Unusual ferroelectric and magnetic phases in multiferroic 2H−BaMnO3 ceramics10First-principles study of tungsten trioxide: Structural properties and polaron formation0Local inversion symmetry breaking and spin-phonon coupling in the perovskite GdCrO361Theory and Neutrons Combine To Reveal a Family of Layered Perovskites without Inversion Symmetry47Spin-induced ferroelectricity in a triangular-lattice antiferromagnet studied by magnetoelectric coupling tensors16Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite38Hybrid improper ferroelectricity and multiferroic in Ruddlesden-Popper structures7Crystal structural evolution and hybrid improper ferroelectricity in Ruddlesden-Popper Ca3-xSrxTi2O7 ceramics40Disentangling the Effects of Inter- and Intra-octahedral Distortions on the Electronic Structure in Binary Metal Trioxides15Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide45Observation of Quasi-Two-Dimensional Polar Domains and Ferroelastic Switching in a Metal, Ca3Ru2O792Structural Diversity from Anion Order in Heteroanionic Materials55Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials10A group-theoretical approach to enumerating magnetoelectric and multiferroic couplings in perovskites39Direct Magnetization-Polarization Coupling in BaCuF431Design of New Multiferroic Oxides1Hybrid 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 Phases123Design of a polar half-metallic ferromagnet with accessible and enhanced electric polarization10Cation Exchange as a Mechanism To Engineer Polarity in Layered Perovskites33Dielectric and ferroic properties of metal halide perovskites253Crystal structures, dielectric properties, and phase transition in hybrid improper ferroelectric Sr3Sn2O7-based ceramics33Heteroanionic Materials by Design: Progress Toward Targeted Properties237Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity290Lattice dynamics of the hybrid improper ferroelectrics (Ca,Sr)3Ti2O79Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites105Hidden improper ferroelectric phases for design of antiferroelectrics3Hybrid improper ferroelectricity and pressure-induced enhancement of polarization in Ba3Ce2O7 predicted by a first-principles calculation2Improved hybrid improper ferroelectricity in B-site substituted Ca3Ti2O7 ceramics with a Ruddlesden–Popper structure21Highly Tunable Ferroelectricity in Hybrid Improper Ferroelectric Sr3Sn2O740Magnetoelastic coupling and spin contributions to entropy and thermal transport in biferroic yttrium orthochromite *5Structural evolution and phase transition of Sr3Sn2O7 doped with Ca6Enhanced hybrid improper ferroelectricity in Fe/Nb cosubstituted Ca 3 Mn 2 O 7 ceramics16Strong trilinear coupling of phonon instabilities drives the avalanche-like hybrid improper ferroelectric transition in SrBi2Nb2O92Phonon anharmonicity: a pertinent review of recent progress and perspective77Heteroanionic Ruddlesden-Popper ferroelectrics from anion order and octahedral tilts8Review of experimental progress of hybrid improper ferroelectricity in layered perovskite oxides36First-principles study of lattice dynamical properties of the room-temperature P 2 1 / n and ground-state P 2 1 / c phases of WO 316Ab initio investigation of the magnetic and ferroelectric properties of BaCuF4 under hydrostatic pressure1Superior hybrid improper ferroelectricity and enhanced ferromagnetism of Ca3(Ti1-xCox)2O7 ceramics through the superexchange interaction8Investigating phonon dynamics across the magnetic transition in multiferroic YCrO₃0Ultrafast Suppression of the Ferroelectric Instability in KTaO319Enhanced magnetism in Ru‐doped hybrid improper perovskite Ca 3 Mn 2 O 7 via experimental and first‐principles study13Hybrid improper ferroelectricity and phase transition behavior of Li2Nd2Ti3O10 ceramics with A-site ordered triple-layer Ruddlesden-Popper structure6RETRACTED: Field induced phase transition and magnetic phase diagram of multiferroic Ca2CoSi2O72The optical and ferroelectric properties of Fe-doped hybrid improper ferroelectricity Ca3Ti2O7 via experimental and density functional theory study3Optimized hybrid improper ferroelectricity of (Ca1-Nd )3Ti2O7 ceramics based on soft doping effects7Effect of Ca2MnO4 on the magnetic and electric properties in Ca3Mn2O7 ceramics prepared with different sintering temperature2Quasi Harmonic approximation breakdown : consequences on the thermal transport at extreme conditions0Understanding secondary order parameters in perovskites with tilted octahedra5Multiferroic properties of Ruddlesden-Popper Ca3Mn2O7 with La/Fe co-doping3Recent Progress of Hybrid Improper Ferroelectrics with Ruddlesden-Popper Structure1Thermally Controlled A-site Cation Ordering and Coupled Polarity in Double Perovskite NaLaZr2O62A-Site Cation Disorder Engineering in Ruddlesden–Popper Layered Perovskite Oxide La 2 (Ba,Sr)In 2 O 7 for Hybrid Improper Ferroelectricity8Low-temperature charge-density-wave transition in ordered intermetallic γ ′ − U 2 Mo0

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  1. Design of noncentrosymmetric perovskites from centric and acentric basic building units

    Journal of Materials Chemistry C · 2016-01-01

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  2. Hybrid improper ferroelectricity in SrZrO 3 /BaZrO 3 superlattice

    Physical Chemistry Chemical Physics · 2016-01-01

    Yajun Zhang, Jie Wang, P. S. Sahoo, Xiaoyuan Wang, Takahiro Shimada, Takayuki Kitamura

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  3. Molecular Motion and Dynamic Crystal Structures of Hybrid Halide Perovskites

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  4. What Is Moving in Hybrid Halide Perovskite Solar Cells?

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  5. Octahedral Rotation Preferences in Perovskite Iodides and Bromides

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  6. Non-collinear magnetism in multiferroic perovskites

    Journal of Physics Condensed Matter · 2016-02-25

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  7. Strain-Engineered Multiferroicity in Pnma NaMnF3 Fluoroperovskite

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    Andrés Camilo Garcia-Castro, Aldo Humberto Romero, Éric Bousquet

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  8. Interplay between electron correlations and polar displacements in metallic SrEuMo2O6

    Physical review. B./Physical review. B · 2016-03-30

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  9. Constructing a magnetic handle for antiferromagnetic manganites

    Physical review. B./Physical review. B · 2016-04-27

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  10. An efficient ab-initio quasiharmonic approach for the thermodynamics of solids

    Computational Materials Science · 2016-04-28

    Liang‐Feng Huang, Xue‐Zeng Lu, Emrys Tennessen, James M. Rondinelli

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  11. Anisotropic symmetric exchange as a new mechanism for multiferroicity

    Physical review. B./Physical review. B · 2016-05-18

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  12. Epitaxial-strain-induced polar-to-nonpolar transitions in layered oxides

    Nature Materials · 2016-06-13

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  13. First-principles reinvestigation of bulk WO 3

    Physical review. B./Physical review. B · 2016-12-19

    H. Hamdi, Ekhard K. H. Salje, Philippe Ghosez, Éric Bousquet

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  14. To superspace and beyond

    Acta Crystallographica Section A Foundations and Advances · 2016-12-22

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  15. Designing new ferroelectrics with a general strategy

    npj Quantum Materials · 2017-01-12

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  16. Characteristics and controllability of vortices in ferromagnetics, ferroelectrics, and multiferroics

    Reports on Progress in Physics · 2017-02-03

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  17. Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order

    Journal of the American Chemical Society · 2017-02-06

    Joshua Young, Eun Ju Moon, Debangshu Mukherjee, Greg Stone, Venkatraman Gopalan, Nasim Alem, Steven J. May, James M. Rondinelli

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  18. Aperiodic topological order in the domain configurations of functional materials

    Nature Reviews Materials · 2017-03-07

    Fei-Ting Huang, Sang‐Wook Cheong

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  19. Unusual ferroelectric and magnetic phases in multiferroic 2H−BaMnO3 ceramics

    Physical review. B./Physical review. B · 2017-05-12

    S. Kamba, D. Nuzhnyy, M. Savinov, P. Tolédano, V. V. Laguta, Petr Brázda, Lukáš Palatinus, F. Kadlec, Fedir Borodavka, Christelle Kadlec, Petr Bednyakov, Viktor Bovtun, Martin Kempa, Dominik Kriegner, Jan Drahokoupil, J. Kroupa, Ján Prokleška, Kamal Chapagain, Bogdan Dabrowski, Veronica Goian

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  20. First-principles study of tungsten trioxide: Structural properties and polaron formation

    Open Repository and Bibliography (University of Liège) · 2017-09-01

    H. Hamdi

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  21. Local inversion symmetry breaking and spin-phonon coupling in the perovskite GdCrO3

    Physical review. B./Physical review. B · 2017-09-12

    Sudipta Mahana, Bipul Rakshit, Raktima Basu, Sandip Kumar Dhara, Boby Joseph, Unnikrishnan Manju, S. D. Mahanti, D. Topwal

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  22. Theory and Neutrons Combine To Reveal a Family of Layered Perovskites without Inversion Symmetry

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  23. Spin-induced ferroelectricity in a triangular-lattice antiferromagnet studied by magnetoelectric coupling tensors

    Physical review. B./Physical review. B · 2017-12-22

    Junting Zhang, C. Ji, Jianli Wang, Wangsuo Xia, B. X. Guo, Xiaomei Lü, Jinsong Zhu

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  24. Momentum-resolved observations of the phonon instability driving geometric improper ferroelectricity in yttrium manganite

    Nature Communications · 2017-12-27

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  25. Hybrid improper ferroelectricity and multiferroic in Ruddlesden-Popper structures

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  26. Crystal structural evolution and hybrid improper ferroelectricity in Ruddlesden-Popper Ca3-xSrxTi2O7 ceramics

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  27. Disentangling the Effects of Inter- and Intra-octahedral Distortions on the Electronic Structure in Binary Metal Trioxides

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  28. Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide

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  29. Observation of Quasi-Two-Dimensional Polar Domains and Ferroelastic Switching in a Metal, Ca3Ru2O7

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  30. Structural Diversity from Anion Order in Heteroanionic Materials

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  31. Inducing spontaneous electric polarizations in double perovskite iodide superlattices for ferroelectric photovoltaic materials

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  32. A group-theoretical approach to enumerating magnetoelectric and multiferroic couplings in perovskites

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  33. Direct Magnetization-Polarization Coupling in BaCuF4

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  35. 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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  36. Design of a polar half-metallic ferromagnet with accessible and enhanced electric polarization

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  37. Cation Exchange as a Mechanism To Engineer Polarity in Layered Perovskites

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  38. Dielectric and ferroic properties of metal halide perovskites

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  39. Crystal structures, dielectric properties, and phase transition in hybrid improper ferroelectric Sr3Sn2O7-based ceramics

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  40. Heteroanionic Materials by Design: Progress Toward Targeted Properties

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  41. Tuning perovskite oxides by strain: Electronic structure, properties, and functions in (electro)catalysis and ferroelectricity

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  42. Lattice dynamics of the hybrid improper ferroelectrics (Ca,Sr)3Ti2O7

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  43. Assessment of dynamic structural instabilities across 24 cubic inorganic halide perovskites

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  44. Hidden improper ferroelectric phases for design of antiferroelectrics

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  45. Hybrid improper ferroelectricity and pressure-induced enhancement of polarization in Ba3Ce2O7 predicted by a first-principles calculation

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  46. Improved hybrid improper ferroelectricity in B-site substituted Ca3Ti2O7 ceramics with a Ruddlesden–Popper structure

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  47. Highly Tunable Ferroelectricity in Hybrid Improper Ferroelectric Sr3Sn2O7

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  48. Magnetoelastic coupling and spin contributions to entropy and thermal transport in biferroic yttrium orthochromite *

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  49. Structural evolution and phase transition of Sr3Sn2O7 doped with Ca

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  50. Enhanced hybrid improper ferroelectricity in Fe/Nb cosubstituted Ca 3 Mn 2 O 7 ceramics

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