Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Cooperative Couplings between Octahedral Rotations and Ferroelectricity in Perovskites and Related Materials

Journal Article · · Physical Review Letters
; ; ; ; ;

Not Available

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Grant/Contract Number:
SC0002220
OSTI ID:
1436824
Journal Information:
Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 19 Vol. 120; ISSN 0031-9007; ISSN PRLTAO
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (50)

First-Principles Studies on Novel Polar Oxide ZnSnO3; Pressure-Induced Phase Transition and Electric Properties journal May 2010
Polar and Magnetic Mn 2 FeMO 6 (M=Nb, Ta) with LiNbO 3 -type Structure: High-Pressure Synthesis journal June 2013
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
LiNbO 3 -Type InFeO 3 : Room-Temperature Polar Magnet without Second-Order Jahn–Teller Active Ions journal September 2016
Synthesis, Direct Formation under High Pressure, Structure, and Electronic Properties of LiNbO 3 -type Oxide PbZnO 3 journal November 2015
Synthesis, Structural Transformation, Thermal Stability, Valence State, and Magnetic and Electronic Properties of PbNiO 3 with Perovskite- and LiNbO 3 -Type Structures journal October 2011
A Polar Corundum Oxide Displaying Weak Ferromagnetism at Room Temperature journal February 2012
Designing Polar and Magnetic Oxides: Zn 2 FeTaO 6 - in Search of Multiferroics journal June 2014
Room-Temperature Polar Ferromagnet ScFeO 3 Transformed from a High-Pressure Orthorhombic Perovskite Phase journal October 2014
A Polar Oxide ZnSnO 3 with a LiNbO 3 -Type Structure journal May 2008
Heteroepitaxial Ferroelectric ZnSnO 3 Thin Film journal June 2009
Why Are There So Few Perovskite Ferroelectrics? journal May 2013
Origin of ferroelectricity in perovskite oxides journal July 1992
A ferroelectric-like structural transition in a metal journal September 2013
A new LiNbO 3 -type polar oxide with closed-shell cations: ZnPbO 3 journal September 2015
First-principles theory of structural phase transitions for perovskites: Competing instabilities journal February 1998
First-principles model potentials for lattice-dynamical studies: general methodology and example of application to ferroic perovskite oxides journal July 2013
Competition and cooperation between antiferrodistortive and ferroelectric instabilities in the model perovskite SrTiO 3 journal March 2014
Pressure and strain effects of hexagonal rare-earth manganites: a first-principles study journal February 2016
Lattice Dynamics and Phase Transitions of Strontium Titanate journal May 1964
Inhomogeneous Electron Gas journal November 1964
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Theory of polarization of crystalline solids journal January 1993
Electric polarization as a bulk quantity and its relation to surface charge journal August 1993
Projector augmented-wave method journal December 1994
First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO 3 journal September 1995
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO 3 journal December 2000
First-principles study of barium titanate under hydrostatic pressure journal November 2006
First-principles calculations of the ferroelastic transition between rutile-type and CaCl 2 -type SiO 2 at high pressures journal October 2008
Non- d 0 Mn-driven ferroelectricity in antiferromagnetic BaMnO 3 journal May 2009
Strain-induced isosymmetric phase transition in BiFeO 3 journal February 2010
First-principles study of structural and vibrational properties of SrZrO 3 journal February 2012
Universal collaborative couplings between oxygen-octahedral rotations and antiferroelectric distortions in perovskites journal July 2013
Anomalous properties of hexagonal rare-earth ferrites from first principles journal May 2014
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
BiFeO 3 Films under Tensile Epitaxial Strain from First Principles journal June 2011
Predicting a Ferrimagnetic Phase of Zn 2 FeOsO 6 with Strong Magnetoelectric Coupling journal April 2015
Important Generalization Concerning the Role of Competing Forces in Displacive Phase Transitions journal December 1975
Competing Structural Instabilities in Cubic Perovskites journal March 1995
Generalized Gradient Approximation Made Simple journal October 1996
First-Principles Determination of the Soft Mode in Cubic ZrO 2 journal May 1997
Finite-Temperature Properties of Pb ( Zr 1 − x Ti x ) O 3 Alloys from First Principles journal June 2000
Effect of Epitaxial Strain on the Spontaneous Polarization of Thin Film Ferroelectrics journal December 2005
Phase Diagram of Pb ( Zr , Ti ) O 3 Solid Solutions from First Principles journal October 2006
Macroscopic polarization in crystalline dielectrics: the geometric phase approach journal July 1994
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal September 1976
The classification of tilted octahedra in perovskites journal November 1972
Exchange Monte Carlo Method and Application to Spin Glass Simulations journal June 1996

Similar Records

Related Subjects