Structure and Properties of Functional Oxide Thin Films: Insights From Electronic-Structure Calculations

PbO-deficient PbTiO3: Mass transport, structural effects and possibility for intrinsic screening of the ferroelectric polarization

(2011) Sverre M. Selbach et al.   APPLIED PHYSICS LETTERS

Mechanism of ferroelectric instabilities in non-d0perovskites: LaCrO3versus CaMnO3

(2011) Claude Ederer et al.   PHYSICAL REVIEW B

Control of octahedral rotations in (LaNiO3)n/(SrMnO3)msuperlattices

(2011) S. J. May et al.   PHYSICAL REVIEW B

Misfit strain accommodation in epitaxialABO3perovskites: Lattice rotations and lattice modulations

(2011) A. Vailionis et al.   PHYSICAL REVIEW B

Interfacial enhancement of ferroelectricity in CaTiO3/BaTiO3superlattices

(2011) Xifan Wu et al.   PHYSICAL REVIEW B

Stress-inducedR−MA−MC−Tsymmetry changes in BiFeO3films

(2011) H. M. Christen et al.   PHYSICAL REVIEW B

Band alignment at metal/ferroelectric interfaces: Insights and artifacts from first principles

(2011) Massimiliano Stengel et al.   PHYSICAL REVIEW B

First-principles predictions of low-energy phases of multiferroic BiFeO3

(2011) Oswaldo Diéguez et al.   PHYSICAL REVIEW B

Large Isosymmetric Reorientation of Oxygen Octahedra Rotation Axes in Epitaxially Strained Perovskites

(2011) James M. Rondinelli et al.   PHYSICAL REVIEW LETTERS

Unexpectedly Large Electronic Contribution to Linear Magnetoelectricity

(2011) Eric Bousquet et al.   PHYSICAL REVIEW LETTERS

Metallic and Insulating Oxide Interfaces Controlled by Electronic Correlations

(2011) H. W. Jang et al.   SCIENCE

Interface Physics in Complex Oxide Heterostructures

(2011) Pavlo Zubko et al.   Annual Review of Condensed Matter Physics

Low-Symmetry Monoclinic Phases and Polarization Rotation Path Mediated by Epitaxial Strain in Multiferroic BiFeO3 Thin Films

(2010) Zuhuang Chen et al.   ADVANCED FUNCTIONAL MATERIALS

Enhanced magnetism in epitaxial SrRuO3 thin films

(2010) Alexander Grutter et al.   APPLIED PHYSICS LETTERS

Low symmetry monoclinic MC phase in epitaxial BiFeO3 thin films on LaSrAlO4 substrates

(2010) Zuhuang Chen et al.   APPLIED PHYSICS LETTERS

Key Role of Covalent Bonding in Octahedral Tilting in Perovskites

(2010) P. Garcia-Fernandez et al.   Journal of Physical Chemistry Letters

Electronic phenomena at complex oxide interfaces: insights from first principles

(2010) Rossitza Pentcheva et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Advances in the growth and characterization of magnetic, ferroelectric, and multiferroic oxide thin films

(2010) L.W. Martin et al.   MATERIALS SCIENCE & ENGINEERING R-REPORTS

A strong ferroelectric ferromagnet created by means of spin–lattice coupling

(2010) June Hyuk Lee et al.   NATURE

Structural phases of strainedLaAlO3driven by octahedral tilt instabilities

(2010) Alison J. Hatt et al.   PHYSICAL REVIEW B

Electron-lattice instabilities suppress cuprate-like electronic structures inSrFeO3/SrTiO3superlattices

(2010) James M. Rondinelli et al.   PHYSICAL REVIEW B

Electric-field modification of magnetism in a thin CoPd film

(2010) Mikhail Zhernenkov et al.   PHYSICAL REVIEW B

Metallicity inLaTiO3thin films induced by lattice deformation

(2010) Franklin J. Wong et al.   PHYSICAL REVIEW B

Tuning the atomic and domain structure of epitaxial films of multiferroicBiFeO3

(2010) C. J. M. Daumont et al.   PHYSICAL REVIEW B

First-principles accurate total energy surfaces for polar structural distortions ofBaTiO3,PbTiO3, andSrTiO3: Consequences for structural transition temperatures

(2010) Takeshi Nishimatsu et al.   PHYSICAL REVIEW B

Substrate coherency driven octahedral rotations in perovskite oxide films

(2010) James M. Rondinelli et al.   PHYSICAL REVIEW B

Quantifying octahedral rotations in strained perovskite oxide films

(2010) S. J. May et al.   PHYSICAL REVIEW B

Competing phases inBiFeO3thin films under compressive epitaxial strain

(2010) B. Dupé et al.   PHYSICAL REVIEW B

Strain-induced isosymmetric phase transition inBiFeO3

(2010) Alison J. Hatt et al.   PHYSICAL REVIEW B

Epitaxial-Strain-Induced Multiferroicity inSrMnO3from First Principles

(2010) Jun Hee Lee et al.   PHYSICAL REVIEW LETTERS

Origin of the Magnetoelectric Coupling Effect inPb(Zr0.2Ti0.8)O3/La0.8Sr0.2MnO3Multiferroic Heterostructures

(2010) C. A. F. Vaz et al.   PHYSICAL REVIEW LETTERS

Control of Octahedral Tilts and Magnetic Properties of Perovskite Oxide Heterostructures by Substrate Symmetry

(2010) Jun He et al.   PHYSICAL REVIEW LETTERS

Suppression of Octahedral Tilts and Associated Changes in Electronic Properties at Epitaxial Oxide Heterostructure Interfaces

(2010) A. Y. Borisevich et al.   PHYSICAL REVIEW LETTERS

An Emergent Change of Phase for Electronics

(2010) H. Takagi et al.   SCIENCE

Strontium-Doped Perovskites Rival Platinum Catalysts for Treating NOx in Simulated Diesel Exhaust

(2010) C. H. Kim et al.   SCIENCE

Oxide Interfaces--An Opportunity for Electronics

(2010) J. Mannhart et al.   SCIENCE

Limits on vanadium oxide Mott metal–insulator transition field-effect transistors

(2010) S. Hormoz et al.   SOLID-STATE ELECTRONICS

(111)pmicrotwinning in SrRuO3thin films on (001)pLaAlO3

(2009) Y. Han et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions inABX3perovskites. I. Theory

(2009) Michael A. Carpenter et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Symmetry rules and strain/order-parameter relationships for coupling between octahedral tilting and cooperative Jahn–Teller transitions inABX3perovskites. II. Application

(2009) Michael A. Carpenter et al.   ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE

Magnetoelectric Effects in Complex Oxides with Competing Ground States

(2009) Hajo J. A. Molegraaf et al.   ADVANCED MATERIALS

Phase-Transition Temperatures of Strained Single-Crystal SrRuO3Thin Films

(2009) Kyoung Jin Choi et al.   ADVANCED MATERIALS

Epitaxial-strain effect on charge/orbital order in Pr0.5Ca0.5MnO3 films

(2009) D. Okuyama et al.   APPLIED PHYSICS LETTERS

Growth of homoepitaxial SrTiO3 thin films by molecular-beam epitaxy

(2009) C. M. Brooks et al.   APPLIED PHYSICS LETTERS

Challenges for Rechargeable Li Batteries†

(2009) John B. Goodenough et al.   CHEMISTRY OF MATERIALS

First principles studies of multiferroic materials

(2009) Silvia Picozzi et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Battery materials for ultrafast charging and discharging

(2009) Byoungwoo Kang et al.   NATURE

Enhanced ordering temperatures in antiferromagnetic manganite superlattices

(2009) S. J. May et al.   NATURE MATERIALS

Enhancement of ferroelectricity at metal–oxide interfaces

(2009) Massimiliano Stengel et al.   NATURE MATERIALS

Electric displacement as the fundamental variable in electronic-structure calculations

(2009) Massimiliano Stengel et al.   Nature Physics

Non-d0Mn-driven ferroelectricity in antiferromagneticBaMnO3

(2009) James M. Rondinelli et al.   PHYSICAL REVIEW B

Strain-induced ferroelectricity in orthorhombicCaTiO3from first principles

(2009) C.-J. Eklund et al.   PHYSICAL REVIEW B

Electronic and magnetic properties ofRMnO3/AMnO3heterostructures

(2009) Rong Yu et al.   PHYSICAL REVIEW B

First-principles modeling of ferroelectric capacitors via constrained displacement field calculations

(2009) Massimiliano Stengel et al.   PHYSICAL REVIEW B

Magnetoelectric coupling and electric control of magnetization in ferromagnet/ferroelectric/normal-metal superlattices

(2009) Tianyi Cai et al.   PHYSICAL REVIEW B

Calculation of the lattice constant of solids with semilocal functionals

(2009) Philipp Haas et al.   PHYSICAL REVIEW B

Evolution of magnetic phases and orbital occupation in(SrMnO3)n/(LaMnO3)2nsuperlattices

(2009) C. Aruta et al.   PHYSICAL REVIEW B

Suppression of the ferromagnetic state inLaCoO3films by rhombohedral distortion

(2009) D. Fuchs et al.   PHYSICAL REVIEW B

Electronic and magnetic structure of the(LaMnO3)2n/(SrMnO3)nsuperlattices

(2009) B. R. K. Nanda et al.   PHYSICAL REVIEW B

Oxygen octahedron reconstruction in theSrTiO3/LaAlO3heterointerfaces investigated using aberration-corrected ultrahigh-resolution transmission electron microscopy

(2009) C. L. Jia et al.   PHYSICAL REVIEW B

Engineering Multiferroism inCaMnO3

(2009) Satadeep Bhattacharjee et al.   PHYSICAL REVIEW LETTERS

Evidence for Room-Temperature Multiferroicity in a Compound with a Giant Axial Ratio

(2009) H. Béa et al.   PHYSICAL REVIEW LETTERS

MATERIALS SCIENCE: Atomically Engineered Oxide Interfaces

(2009) J. W. Reiner et al.   SCIENCE

Simulating Multifunctional Structures

(2009) S. R. Phillpot et al.   SCIENCE

A Strain-Driven Morphotropic Phase Boundary in BiFeO3

(2009) R. J. Zeches et al.   SCIENCE

Strain-induced change in local structure and its effect on the ferromagnetic properties of La0.5Sr0.5CoO3 thin films

(2008) C. K. Xie et al.   APPLIED PHYSICS LETTERS

Influence of symmetry mismatch on heteroepitaxial growth of perovskite thin films

(2008) D. L. Proffit et al.   APPLIED PHYSICS LETTERS

Tailoring magnetic anisotropy at the ferromagnetic/ferroelectric interface

(2008) Chun-Gang Duan et al.   APPLIED PHYSICS LETTERS

First-principles study of the dielectric and dynamical properties of orthorhombic CaMnO3

(2008) Satadeep Bhattacharjee et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Improper ferroelectricity in perovskite oxide artificial superlattices

(2008) Eric Bousquet et al.   NATURE

X-ray study of structural domains in the near-surface region ofSrTiO3substrates withY0.6Pr0.4Ba2Cu3O7/La2/3Ca1/3MnO3superlattices grown on top

(2008) J. Hoppler et al.   PHYSICAL REVIEW B

Electronic properties of bulk and thin filmSrRuO3: Search for the metal-insulator transition

(2008) James M. Rondinelli et al.   PHYSICAL REVIEW B

Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides

(2008) D. I. Bilc et al.   PHYSICAL REVIEW B

Manipulating magnetic properties ofSrRuO3andCaRuO3with epitaxial and uniaxial strains

(2008) A. T. Zayak et al.   PHYSICAL REVIEW B

Metal-Insulator Transition and Its Relation to Magnetic Structure in(LaMnO3)2n/(SrMnO3)nSuperlattices

(2008) A. Bhattacharya et al.   PHYSICAL REVIEW LETTERS

Spin-Polarized Two-Dimensional Electron Gas at Oxide Interfaces

(2008) B. R. K. Nanda et al.   PHYSICAL REVIEW LETTERS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS