DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Property control from polyhedral connectivity in A B O 3 oxides

Journal Article · · Physical Review B

Not Available

Sponsoring Organization:
USDOE
Grant/Contract Number:
AC02-06CH11357
OSTI ID:
1546845
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 6 Vol. 100; ISSN 2469-9950; ISSN PRBMDO
Publisher:
American Physical SocietyCopyright Statement
Country of Publication:
United States
Language:
English

References (65)

Necessary and sufficient elastic stability conditions in various crystal systems journal December 2014
Strain Tuning of Ferroelectric Polarization in Hybrid Organic Inorganic Perovskite Compounds journal October 2015
A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles journal October 2011
Study of mechanical, electronic and optical properties of PbZrO 3 and PbHfO 3 ; DFT approach journal March 2019
Toward an artificial Mott insulator: Correlations in confined high-density electron liquids in SrTiO 3 journal November 2012
Towards an accurate description of perovskite ferroelectrics: exchange and correlation effects journal March 2017
wannier90: A tool for obtaining maximally-localised Wannier functions journal May 2008
Phase stability of the SrMn O 3 hexagonal perovskite system at high pressure and temperature journal December 2014
Control of octahedral connectivity in perovskite oxide heterostructures: An emerging route to multifunctional materials discovery journal March 2012
Strain Tuning of Ferroelectric Thin Films journal August 2007
Polarization Fluctuations and the Optical-Absorption Edge in BaTi O 3 journal October 1970
Crystal and Magnetic Structures of 2H BaMnO 3 journal March 2000
Orbital-free density functional theory implementation with the projector augmented-wave method journal December 2014
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides journal September 1976
Phase relations in the Barium Titanate-Titanium Oxide System journal August 1991
Evolution of electronic and magnetic properties in four polytypes of BaRuO 3 : a first-principles study journal November 2013
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Pressure-enhanced Insulating State and Trigonal Distortion Relaxation in Geometrically Frustrated Pyrochlore Eu 2 Sn 2 O 7 journal April 2016
Cation disorder and size effects in magnetoresistive manganese oxide perovskites journal December 1996
Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling journal March 2016
Nature of the octahedral tilting phase transitions in perovskites: A case study of CaMnO 3 journal January 2018
Novel Charge Ordering in the Trimer Iridium Oxide BaIrO3 journal March 2016
Refinement of hexagonal BaTiO3 journal February 1994
Projector augmented-wave method journal December 1994
A Statistical Learning Framework for Materials Science: Application to Elastic Moduli of k-nary Inorganic Polycrystalline Compounds journal October 2016
Structures of the ferroelectric phases of barium titanate journal March 1993
Structural distortion and suppression of superconductivity in stoichiometric B 1 − MoN epitaxial thin films journal February 2006
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Corner- versus face-sharing octahedra in A Mn O 3 perovskites ( A = Ca , Sr, and Ba) journal May 2007
Pressure effects on charge-ordering transitions in Perovskite manganites journal March 1997
Investigations of the electronic structure of d0 transition metal oxides belonging to the perovskite family journal October 2003
Electrical and magnetic properties of the two crystallographic forms of BaRuO 3 journal February 1999
Temperature Dependence of the Optical Absorption Edge in Hexagonal BaTiO 3 journal October 1995
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Tuning magnetic anisotropy by interfacially engineering the oxygen coordination environment in a transition metal oxide journal March 2016
Lattice Effects on the Magnetoresistance in Doped LaMn O 3 journal July 1995
First-principles investigations of elastic properties and energetics of antiferroelectric and ferroelectric phases of PbZrO 3 journal March 2008
The bulk modulus-volume relationship for oxide compounds and related geophysical problems journal August 1965
Quantum confinement in oxide quantum wells journal December 2013
Generalized-gradient-functional treatment of strain in density-functional perturbation theory journal July 2005
Oxygen-deficient perovskites: linking structure, energetics and ion transport journal January 2006
Band gap engineering strategy via polarization rotation in perovskite ferroelectrics journal April 2014
Electronic structure and magnetic properties of cubic and hexagonal Sr Mn O 3 journal October 2006
Structure and magnetism of 4H-BaMnO3−x () and 4H-Ba0.5Sr0.5MnO3−x () journal January 2006
Principles and Applications of Ferroelectrics and Related Materials book February 2001
Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal January 1998
Colloquium : Emergent properties in plane view: Strong correlations at oxide interfaces journal October 2014
Crystalline symmetry controlled magnetic switching in epitaxial (111) La 0.7 Sr 0.3 MnO 3 thin films journal June 2015
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Elasticity of CaTiO3, SrTiO3 and BaTiO3 perovskites up to 3.0 Gpa: the effect of crystallographic structure journal July 1993
Band-gap engineering of functional perovskites through quantum confinement and tunneling journal April 2015
Thermodynamic assessment of the BaO - TiO2 quasibinary system journal September 2000
The emergence of perovskite solar cells journal July 2014
Lattice, elastic, polarization, and electrostrictive properties of BaTiO3 from first-principles journal August 2010
Synthesis and crystal structure of a new hexagonal perovskite 7H-Ba 7 Li 1.75 Mn 3.5 O 15.75 with Mn 4+ /Mn 5+ charge distribution journal January 2015
Elastic properties, Debye temperature, density of states and electron–phonon coupling of ZrB12 under pressure journal February 2012
Growth and characterization of charge carrier spatially confined SrMnO3/La0.7Sr0.3MnO3/SrMnO3 trilayers journal February 2017
Effect of Interfacial Octahedral Behavior in Ultrathin Manganite Films journal April 2014
Role of local geometry in the spin and orbital structure of transition metal compounds journal March 2016
Surface stability of epitaxial La 0.7 Sr 0.3 MnO 3 thin films on (111)-oriented SrTiO 3 journal May 2013
The Elastic Behaviour of a Crystalline Aggregate journal May 1952
Die Gesetze der Krystallochemie journal May 1926
Geometrical lattice engineering of complex oxide heterostructures: a designer approach to emergent quantum states journal August 2016
Optical properties, lattice dynamics, and structural phase transition in hexagonal 2 H − BaMn O 3 single crystals journal October 2015
Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress journal February 2002