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

Title: Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering

Publication Date:
Sponsoring Org.:
OSTI Identifier:
Grant/Contract Number:  
SC0016507; AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 4; Journal ID: ISSN 2469-9950
American Physical Society
Country of Publication:
United States

Citation Formats

Lee, Alex Taekyung, and Marianetti, Chris A. Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering. United States: N. p., 2018. Web.
Lee, Alex Taekyung, & Marianetti, Chris A. Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering. United States.
Lee, Alex Taekyung, and Marianetti, Chris A. Wed . "Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering". United States.
title = {Structural and metal-insulator transitions in rhenium-based double perovskites via orbital ordering},
author = {Lee, Alex Taekyung and Marianetti, Chris A.},
abstractNote = {},
doi = {10.1103/PhysRevB.97.045102},
journal = {Physical Review B},
number = 4,
volume = 97,
place = {United States},
year = {2018},
month = {1}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Neutron diffraction, x-ray diffraction, and specific heat studies of orbital ordering in YVO 3
journal, April 2002

Magnetic Couplings, Optical Spectra, and Spin-Orbit Exciton in 5 d Electron Mott Insulator Sr 2 IrO 4
journal, October 2012

Electronic structure and x-ray magnetic circular dichroism in A 2 FeReO 6 ( A = Ca , Sr , and Ba ) oxides
journal, July 2016

Projector augmented-wave method
journal, December 1994

Growth and properties of high-Curie-temperature Sr2CrReO6 thin films
journal, July 2004

  • Asano, H.; Kozuka, N.; Tsuzuki, A.
  • Applied Physics Letters, Vol. 85, Issue 2
  • DOI: 10.1063/1.1769085

Spin Dynamics and Orbital State in LaTiO 3
journal, October 2000

Crystal growth of Ba2MOsO6 (MLi, Na) from reactive hydroxide fluxes
journal, March 2002

Transition from Orbital Liquid to Jahn-Teller Insulator in Orthorhombic Perovskites R TiO 3
journal, August 2008

CaCrO 3 : An Anomalous Antiferromagnetic Metallic Oxide
journal, October 2008

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Ferromagnetism in the Mott Insulator Ba 2 NaOsO 6
journal, July 2007

Electronic structure of half-metallic double perovskites
journal, September 2003

Microscopic Study of a Spin-Orbit-Induced Mott Insulator in Ir Oxides
journal, November 2010

Structural Distortion on Metal–Insulator Transition in Ordered Double Perovskite Ca 2 FeReO 6
journal, June 2003

  • Oikawa, Kenichi; Kamiyama, Takashi; Kato, Hisato
  • Journal of the Physical Society of Japan, Vol. 72, Issue 6
  • DOI: 10.1143/JPSJ.72.1411

Double perovskites with ferromagnetism above room temperature
journal, December 2006

Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995

Mechanism for Orbital Ordering in KCuF 3
journal, December 2008

Exotic phases induced by strong spin-orbit coupling in ordered double perovskites
journal, November 2010

First-principles investigation of the cooperative Jahn-Teller effect for octahedrally coordinated transition-metal ions
journal, May 2001

Neutron-diffraction study of the Jahn-Teller transition in stoichiometric LaMnO 3
journal, February 1998

Investigation of the high Curie temperature in Sr 2 Cr Re O 6
journal, March 2005

A2B′B″O6 perovskites: A review
journal, May 2015

Resistivity anomaly in the vicinity of a structural phase transition in La 1 x Sr x MnO 3
journal, October 2001

Impact of cation size on magnetic properties of ( A A ) 2 FeReO 6 double perovskites
journal, April 2004

Quantitative determination of the atomic scattering tensor in orbitally ordered YTiO 3 by using a resonant x-ray scattering technique
journal, November 2002

Critical Behavior of Metal-Insulator Transition in La 1 x Sr x VO 3
journal, December 2000

Orbital Fluctuations in the Different Phases of LaVO 3 and YVO 3
journal, September 2007

Electronic and magnetic tunability of Sr 2 CrReO 6 films by growth-mediated oxygen modulation
journal, January 2013

  • Hauser, A. J.; Lucy, J. M.; Wang, H. L.
  • Applied Physics Letters, Vol. 102, Issue 3
  • DOI: 10.1063/1.4789505

Transition between Orbital Orderings in YVO 3
journal, November 2001

Direct Observation of Orbital Ordering in YTiO 3 by Means of the Polarized Neutron Diffraction Technique
journal, December 2001

  • Akimitsu, Jun; Ichikawa, Hirohiko; Eguchi, Naotoshi
  • Journal of the Physical Society of Japan, Vol. 70, Issue 12
  • DOI: 10.1143/JPSJ.70.3475

Engineering Correlation Effects via Artificially Designed Oxide Superlattices
journal, September 2013

Cooperative Jahn-Teller Phase Transition in L a M n O 3 Studied by X-Ray Absorption Spectroscopy
journal, January 2003

Compositional phase stability of strongly correlated electron materials within DFT+ U
journal, January 2017

Phonons and magnetic excitations in the Mott insulator LaTiO 3
journal, May 2004

Optical spectra in (La,Y) TiO 3 : Variation of Mott-Hubbard gap features with change of electron correlation and band filling
journal, April 1995

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces
journal, April 2008

Anisotropy of Mott–Hubbard Gap Transitions due to Spin and Orbital Ordering in LaVO 3 and YVO 3
journal, September 2002

  • Miyasaka, Shigeki; Okimoto, Yoichi; Tokura, Yoshinori
  • Journal of the Physical Society of Japan, Vol. 71, Issue 9
  • DOI: 10.1143/JPSJ.71.2086

Pseudo-half-metallicity in the double perovskite Sr2CrReO6 from density-functional calculations
journal, January 2005

  • Vaitheeswaran, G.; Kanchana, V.; Delin, A.
  • Applied Physics Letters, Vol. 86, Issue 3
  • DOI: 10.1063/1.1855418

Nickel-titanium double perovskite: A three-dimensional spin-1 Heisenberg antiferromagnet
journal, February 2015

Metallic ordered double-perovskite Sr2CrReO6 with maximal Curie temperature of 635 K
journal, July 2002

  • Kato, H.; Okuda, T.; Okimoto, Y.
  • Applied Physics Letters, Vol. 81, Issue 2
  • DOI: 10.1063/1.1493646

Evidence of unquenched Re orbital magnetic moment in AA′FeReO6 double perovskites
journal, August 2006

  • Sikora, M.; Kapusta, Cz.; Borowiec, M.
  • Applied Physics Letters, Vol. 89, Issue 6
  • DOI: 10.1063/1.2234292

Weak orbital ordering of Ir t 2 g states in the double perovskite Sr 2 CeIrO 6
journal, June 2016

High-field magnetization measurements in Sr 2 CrReO 6 double perovskite: Evidence for orbital contribution to the magnetization
journal, March 2007

Orbital Ordering in LaMnO 3 : Electron-Electron versus Electron-Lattice Interactions
journal, March 2006

Structural Aspects of the Crystallographic-Magnetic Transition in LaVO3 around 140 K
journal, October 1993

  • Bordet, P.; Chaillout, C.; Marezio, M.
  • Journal of Solid State Chemistry, Vol. 106, Issue 2
  • DOI: 10.1006/jssc.1993.1285

Orbital Physics in Transition-Metal Oxides
journal, April 2000

Orbital-ordering-induced phase transition in LaVO 3 and CeVO 3
journal, January 2003

Magnetic and structural properties of the double-perovskite Ca2FeReO6
journal, April 2002

Depth-resolved magnetic and structural analysis of relaxing epitaxial Sr 2 CrReO 6
journal, March 2015

Spin waves in the antiferromagnet perovskite LaMn O 3 : A neutron-scattering study
journal, December 1996

Magnetic Behavior of a Mott-Insulator YVO 3
journal, August 1994

  • Kawano, Hazuki; Yoshizawa, Hideki; Ueda, Yutaka
  • Journal of the Physical Society of Japan, Vol. 63, Issue 8
  • DOI: 10.1143/JPSJ.63.2857

Spin-orbital phase diagram of perovskite-type R VO 3 ( R = rare -earth ion or Y)
journal, September 2003

Quantum Versus Jahn-Teller Orbital Physics in Y V O 3 and L a V O 3
journal, October 2004

Magnetoelastic coupling in Sr 2 (Fe 1− x Cr x )ReO 6 double perovskites
journal, October 2007

Mott Transition and Suppression of Orbital Fluctuations in Orthorhombic 3 d 1 Perovskites
journal, April 2004

How chemistry controls electron localization in 3d 1 perovskites: a Wannier-function study
journal, January 2005

Determination of the Orbital Polarization in YTiO3 by Using Soft X-Ray Linear Dichroism
journal, December 2004

Magnetic Neutron Scattering Study of Y V O 3 : Evidence for an Orbital Peierls State
journal, December 2003

Spin-Orbit Dimers and Noncollinear Phases in d 1 Cubic Double Perovskites
journal, May 2017

The Jahn-Teller effect and magnetism: transition metal compounds
journal, April 1982

Coupling between Spin and Orbital Degrees of Freedom in KCuF 3
journal, February 2002

Epitaxial growth and transport properties of Sr2CrWO6 thin films
journal, May 2003

  • Philipp, J. B.; Reisinger, D.; Schonecke, M.
  • Journal of Applied Physics, Vol. 93, Issue 10
  • DOI: 10.1063/1.1556124

Magnetization and specific heat of LaTiO 3
journal, May 2002

Structural Relaxation due to Electronic Correlations in the Paramagnetic Insulator KCuF 3
journal, August 2008

Electronic structure calculations with dynamical mean-field theory
journal, August 2006

Low-moment magnetism in the double perovskites Ba 2 M OsO 6 ( M = Li , Na )
journal, October 2011

Electronic structure of double perovskite A 2 FeReO 6 (A = Ba and Ca): interplay between spin–orbit interaction, electron correlation, and lattice distortion
journal, August 2010

Magnetism in Re-based ferrimagnetic double perovskites
journal, July 2009

Precise Structure Analysis Consistent with Mössbauer Quadrupole Effect: A Case of the Ordered Double Perovskites Sr 2 FeMO 6 (M = Mo and Re)
journal, December 2003

  • Nakamura, Shin; Oikawa, Kenichi
  • Journal of the Physical Society of Japan, Vol. 72, Issue 12
  • DOI: 10.1143/JPSJ.72.3123

Fully ordered Sr 2 CrReO 6 epitaxial films: A high-temperature ferrimagnetic semiconductor
journal, April 2012

Frustrated Superexchange Interaction Versus Orbital Order in a LaVO 3 Crystal
journal, January 2008

The narrow conduction band(s) of Ca2FeReO6 detected by thermopower
journal, September 2007

  • Fisher, B.; Genossar, J.; Chashka, K. B.
  • Journal of Magnetism and Magnetic Materials, Vol. 316, Issue 2
  • DOI: 10.1016/j.jmmm.2007.03.069

Linear response approach to the calculation of the effective interaction parameters in the LDA + U method
journal, January 2005

Crystal structure and magnetism of the double perovskites A2FeReO6 (A=Ca, Sr, Ba)
journal, May 2004

Design of a Mott Multiferroic from a Nonmagnetic Polar Metal
journal, August 2015

Long-range Ni/Mn structural order in epitaxial double perovskite La 2 NiMnO 6 thin films
journal, June 2009

Change of electronic structures with carrier doping in the highly correlated electron system Y 1 x Ca x TiO 3
journal, July 1993

Orbital Fluctuations in Ground State of YTiO 3 : 47,49 Ti NMR Study
journal, April 2005

  • Kiyama, Takashi; Saitoh, Hajime; Itoh, Masayuki
  • Journal of the Physical Society of Japan, Vol. 74, Issue 4
  • DOI: 10.1143/JPSJ.74.1123

Room-temperature magnetoresistance in an oxide material with an ordered double-perovskite structure
journal, October 1998

  • Kobayashi, K. -I.; Kimura, T.; Sawada, H.
  • Nature, Vol. 395, Issue 6703
  • DOI: 10.1038/27167

Orbital physics in the perovskite Ti oxides
journal, January 2004

Crystal and magnetic structure of LaTiO 3 : Evidence for nondegenerate t 2 g orbitals
journal, August 2003

Novel J eff = 1 / 2 Mott State Induced by Relativistic Spin-Orbit Coupling in Sr 2 IrO 4
journal, August 2008

Unusual structural evolution in KCuF 3 at high temperatures by neutron powder diffraction
journal, January 2013

Spin-orbital ordering and mesoscopic phase separation in the double perovskite Ca 2 FeReO 6
journal, August 2002

Orbital Ordering and Local Magnetic Properties of Mott-Hubbard Insulators YTiO 3 and LaTiO 3 : NMR Study
journal, August 1999

  • Itoh, Masayuki; Tsuchiya, Michitoshi; Tanaka, Hirotaka
  • Journal of the Physical Society of Japan, Vol. 68, Issue 8
  • DOI: 10.1143/JPSJ.68.2783

Evidence for Jahn-Teller Distortions at the Antiferromagnetic Transition in L a T i O 3
journal, August 2003

Buffer-layer enhanced structural and electronic quality in ferrimagnetic Sr 2 CrReO 6 epitaxial films
journal, July 2013

  • Lucy, J. M.; Hauser, A. J.; Wang, H. L.
  • Applied Physics Letters, Vol. 103, Issue 4
  • DOI: 10.1063/1.4816803

X-ray magnetic circular dichroism study of Re 5d magnetism in Sr2CrReO6
journal, November 2005

  • Majewski, P.; Geprägs, S.; Sanganas, O.
  • Applied Physics Letters, Vol. 87, Issue 20
  • DOI: 10.1063/1.2131178

Synchrotron x-ray-diffraction study of orbital ordering in YVO 3
journal, October 2000

Orbital-quenching–induced magnetism in Ba 2 NaOsO 6
journal, October 2007

Density functional plus dynamical mean-field theory of the spin-crossover molecule Fe(phen) 2 (NCS) 2
journal, June 2015

Strain-tunable extraordinary magnetocrystalline anisotropy in Sr 2 CrReO 6 epitaxial films
journal, November 2014

Neutron diffraction study of YVO 3 , NdVO 3 , and TbVO 3
journal, March 2006

Magnetic and neutron diffraction study on iridium(IV) perovskites Sr 2 LnIrO 6 (Ln = Ce, Tb)
journal, March 2000

  • Harada, Daijitsu; Wakeshima, Makoto; Hinatsu, Yukio
  • Journal of Physics: Condensed Matter, Vol. 12, Issue 14
  • DOI: 10.1088/0953-8984/12/14/302

New class of planar ferroelectric Mott insulators via first-principles design
journal, December 2015

Theory of Raman and resonant inelastic x-ray scattering from collective orbital excitations in YTiO 3
journal, March 2010

Variation of optical gaps in perovskite-type 3 d transition-metal oxides
journal, December 1993

Neutron-Diffraction Determination of the Antiferromagnetic Structure of KCu F 3
journal, December 1969

Collective orbital excitations in orbitally ordered YVO 3 and HoVO 3
journal, May 2008

Strong correlation effects of the Re 5 d electrons on the metal-insulator transition in Ca 2 Fe Re O 6
journal, February 2005