skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Structural phases arising from reconstructive and isostructural transitions in high-melting-point oxides under hydrostatic pressure: A first-principles study

Journal Article · · Physical Review B

Not provided.

Research Organization:
Univ. of Arkansas, Fayetteville, AR (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
SC0002220
OSTI ID:
1537283
Journal Information:
Physical Review B, Vol. 97, Issue 2; ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (49)

The mixed ionic and electronic conductivity of CaZrO3 with cation nonstoichiometry and oxygen partial pressure journal September 2008
Nanograined Sc-doped BaZrO3 as a proton conducting solid electrolyte for intermediate temperature solid oxide fuel cells (IT-SOFCs) journal October 2014
Acceptor doping in the proton conductor SrZrO 3 journal January 2017
Strain Tuning and Strong Enhancement of Ionic Conductivity in SrZrO 3 -RE 2 O 3 (RE = Sm, Eu, Gd, Dy, and Er) Nanocomposite Films journal June 2015
High-speed and localized resistive switching characteristics of double-layer SrZrO 3 memory devices journal July 2010
Switchable diode effect in BaZrO 3 thin films journal January 2016
Thermophysical Properties of Perovskite-Type Strontium Cerate and Zirconate journal June 2005
High-temperature phase transitions in SrZrO 3 journal February 1999
High-temperature phase transitions in SrHfO 3 journal August 1999
Prospect of hydrogen technology using proton-conducting ceramics journal March 2004
Protonic conduction in calcium, strontium and barium zirconates journal May 1993
Growth of high quality YBCO single crystals using BaZrO3 crucibles journal August 1998
Strongly enhanced Rashba splittings in an oxide heterostructure: A tantalate monolayer on BaHfO 3 journal September 2016
Pressure-induced decomposition of solid hydrogen sulfide journal May 2015
Crystal structure of the superconducting phase of sulfur hydride journal May 2016
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system journal August 2015
Ultimate Metastable Solubility of Boron in Diamond: Synthesis of Superhard Diamondlike BC 5 journal January 2009
Rhodium dihydride (RhH2) with high volumetric hydrogen density journal October 2011
Theoretical and experimental evidence for a post-perovskite phase of MgSiO3 in Earth's D″ layer journal July 2004
Anisotropy of Earth's D″ layer and stacking faults in the MgSiO3 post-perovskite phase journal December 2005
Prediction of a stable post-post-perovskite structure from first principles journal January 2015
Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings journal December 2016
Crystal structure prediction via particle-swarm optimization journal September 2010
CALYPSO: A method for crystal structure prediction journal October 2012
Self-Consistent Equations Including Exchange and Correlation Effects journal November 1965
Generalized Gradient Approximation Made Simple journal October 1996
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Structural Evolution of Carbon Dioxide under High Pressure journal September 2013
Insights into the structural, electronic and magnetic properties of V-doped copper clusters: comparison with pure copper clusters journal August 2016
Prediction of Stable Ruthenium Silicides from First-Principles Calculations: Stoichiometries, Crystal Structures, and Physical Properties journal November 2015
FINDSYM : program for identifying the space-group symmetry of a crystal journal January 2005
Die Gesetze der Krystallochemie journal May 1926
Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces journal April 2008
Phase stability and dielectric constant of ABO3 perovskites from first principles journal July 2009
Powder neutron diffraction study of the perovskites CaTiO3 and CaZrO3 journal October 1983
A novel pressure-induced phase transition in CaZrO3 journal January 2014
Definition of a Transcendental Order Parameter for Reconstructive Phase Transitions journal May 1988
Theory of first-order phase transitions journal July 1987
Isostructural phase transitions in solids journal May 1976
Pressure-induced insulator-to-metal transitions for enhancing thermoelectric power factor in bismuth telluride-based alloys journal January 2017
High-temperature X-ray diffractometric studies of CaZrO3, SrZrO3 and BaZrO3 journal January 1991
Combined theoretical and experimental study of the low-temperature properties of BaZrO 3 journal November 2005
Effect of symmetry lowering on the dielectric response of BaZrO 3 journal May 2006
Structural phase transition of BaZrO 3 under high pressure journal March 2014
Temperature dependence of the hyperfine interaction in the cubic phase of BaHfO 3 journal November 1991
Dielectric and Structural Investigations of the System BaTiO3-BaHfO3 journal August 1965
Rietveld structure refinement of perovskite and post-perovskite phases of NaMgF3 (Neighborite) at high pressures journal October 2006
Phase transitions and compressibility of NaMgF 3 (Neighborite) in perovskite- and post-perovskite-related structures journal January 2006
Seismic anisotropy of the D″ layer induced by (001) deformation of post-perovskite journal April 2017