4.7 Article

Covalent dependence of octahedral rotations in orthorhombic perovskite oxides

Related references

Note: Only part of the references are listed.
Article Chemistry, Physical

Perspective on Engineering Transition-Metal Oxides

John B. Goodenough

CHEMISTRY OF MATERIALS (2014)

Review Chemistry, Multidisciplinary

Design and Preparation of Materials for Advanced Electrochemical Storage

Brent C. Melot et al.

ACCOUNTS OF CHEMICAL RESEARCH (2013)

Article Materials Science, Multidisciplinary

Octahedral engineering of orbital polarizations in charge transfer oxides

Antonio Cammarata et al.

PHYSICAL REVIEW B (2013)

Article Materials Science, Multidisciplinary

Origin of giant spin-lattice coupling and the suppression of ferroelectricity in EuTiO3 from first principles

Turan Birol et al.

PHYSICAL REVIEW B (2013)

Article Physics, Multidisciplinary

Density Functionals that Recognize Covalent, Metallic, and Weak Bonds

Jianwei Sun et al.

PHYSICAL REVIEW LETTERS (2013)

Article Chemistry, Multidisciplinary

Y:BaZrO3 Perovskite Compounds I: DFT Study on the Unprotonated and Protonated Local Structures

Antonio Cammarata et al.

CHEMISTRY-AN ASIAN JOURNAL (2012)

Article Chemistry, Multidisciplinary

Y:BaZrO3 Perovskite Compounds II: Designing Protonic Conduction by using MD Models

Antonio Cammarata et al.

CHEMISTRY-AN ASIAN JOURNAL (2012)

Article Physics, Multidisciplinary

Hybrid paramagnon phonon modes at elevated temperatures in EuTiO3

A. Bussmann-Holder et al.

NEW JOURNAL OF PHYSICS (2012)

Article Materials Science, Multidisciplinary

Local structure of ReO3 at ambient pressure from neutron total-scattering study

E. S. Bozin et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Covalency, double-counting, and the metal-insulator phase diagram in transition metal oxides

Xin Wang et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Benchmark study for the application of density functional theory to the prediction of octahedral tilting in perovskites

P. Garcia-Fernandez et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Spin-assisted covalent bond mechanism in charge-ordering perovskite oxides

Antonio Cammarata et al.

PHYSICAL REVIEW B (2012)

Article Materials Science, Multidisciplinary

Spin-phonon coupling effects in transition-metal perovskites: A DFT+U and hybrid-functional

Jiawang Hong et al.

PHYSICAL REVIEW B (2012)

Article Physics, Multidisciplinary

Formal Valence, 3d-Electron Occupation, and Charge-Order Transitions

Yundi Quan et al.

PHYSICAL REVIEW LETTERS (2012)

Article Physics, Multidisciplinary

Site-Selective Mott Transition in Rare-Earth-Element Nickelates

Hyowon Park et al.

PHYSICAL REVIEW LETTERS (2012)

Article Materials Science, Multidisciplinary

Mechanism for suppression of ferroelectricity in Cd1-xCaxTiO3

Hiroki Taniguchi et al.

PHYSICAL REVIEW B (2011)

Article Chemistry, Physical

Key Role of Covalent Bonding in Octahedral Tilting in Perovskites

P. Garcia-Fernandez et al.

JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2010)

Article Physics, Condensed Matter

A grid-based Bader analysis algorithm without lattice bias

W. Tang et al.

JOURNAL OF PHYSICS-CONDENSED MATTER (2009)

Article Chemistry, Physical

Structural phase transition and octahedral tilting in the calcium titanate perovskite CaTiO3

Masatomo Yashima et al.

SOLID STATE IONICS (2009)

Software Review Chemistry, Multidisciplinary

VESTA:: a three-dimensional visualization system for electronic and structural analysis

Koichi Momma et al.

JOURNAL OF APPLIED CRYSTALLOGRAPHY (2008)

Article Physics, Multidisciplinary

Restoring the density-gradient expansion for exchange in solids and surfaces

John P. Perdew et al.

PHYSICAL REVIEW LETTERS (2008)

Article Chemistry, Inorganic & Nuclear

Composition- and temperature-dependent phase transitions in 1:3 ordered perovskites Ba4-xSrxNaSb3O12

Qingdi Zhou et al.

JOURNAL OF SOLID STATE CHEMISTRY (2007)

Article Materials Science, Multidisciplinary

Empirical electronic polarizabilities in oxides, hydroxides, oxyfluorides, and oxychlorides

Robert D. Shannon et al.

PHYSICAL REVIEW B (2006)

Article Materials Science, Multidisciplinary

Interplay between A-site and B-site driven instabilities in perovskites -: art. no. 054114

M Ghita et al.

PHYSICAL REVIEW B (2005)

Article Physics, Multidisciplinary

General rules for predicting phase transitions in perovskites due to octahedral tilting

RJ Angel et al.

PHYSICAL REVIEW LETTERS (2005)

Article Materials Science, Multidisciplinary

Density functional study of the insulating ground states in CaFeO3 and La1/3Sr2/3FeO3 compounds -: art. no. 045143

T Saha-Dasgupta et al.

PHYSICAL REVIEW B (2005)

Article Chemistry, Multidisciplinary

Prediction of the crystal structures of perovskites using the software program SPuDS

MW Lufaso et al.

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS (2001)

Article Chemistry, Physical

Charge/orbital ordering in perovskite manganites

Y Tomioka et al.

JOURNAL OF ALLOYS AND COMPOUNDS (2001)

Article Materials Science, Multidisciplinary

Structural studies of charge disproportionation and magnetic order in CaFeO3

PM Woodward et al.

PHYSICAL REVIEW B (2000)