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

Title: Novel type of ferroelectricity in brownmillerite structures: A first-principles study

Abstract

Not provided.

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Research Org.:
Univ. of Arkansas, Fayetteville, AR (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1537289
DOE Contract Number:  
SC0002220
Resource Type:
Journal Article
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Volume: 2; Journal Issue: 8; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
Materials Science

Citation Formats

Tian, Hao, Kuang, Xiao-Yu, Mao, Ai-Jie, Yang, Yurong, Xiang, Hongjun, Xu, Changsong, Sayedaghaee, S. Omid, Íñiguez, Jorge, and Bellaiche, L. Novel type of ferroelectricity in brownmillerite structures: A first-principles study. United States: N. p., 2018. Web. doi:10.1103/physrevmaterials.2.084402.
Tian, Hao, Kuang, Xiao-Yu, Mao, Ai-Jie, Yang, Yurong, Xiang, Hongjun, Xu, Changsong, Sayedaghaee, S. Omid, Íñiguez, Jorge, & Bellaiche, L. Novel type of ferroelectricity in brownmillerite structures: A first-principles study. United States. doi:10.1103/physrevmaterials.2.084402.
Tian, Hao, Kuang, Xiao-Yu, Mao, Ai-Jie, Yang, Yurong, Xiang, Hongjun, Xu, Changsong, Sayedaghaee, S. Omid, Íñiguez, Jorge, and Bellaiche, L. Wed . "Novel type of ferroelectricity in brownmillerite structures: A first-principles study". United States. doi:10.1103/physrevmaterials.2.084402.
@article{osti_1537289,
title = {Novel type of ferroelectricity in brownmillerite structures: A first-principles study},
author = {Tian, Hao and Kuang, Xiao-Yu and Mao, Ai-Jie and Yang, Yurong and Xiang, Hongjun and Xu, Changsong and Sayedaghaee, S. Omid and Íñiguez, Jorge and Bellaiche, L.},
abstractNote = {Not provided.},
doi = {10.1103/physrevmaterials.2.084402},
journal = {Physical Review Materials},
issn = {2475-9953},
number = 8,
volume = 2,
place = {United States},
year = {2018},
month = {8}
}

Works referenced in this record:

Materials for Intermediate-Temperature Solid-Oxide Fuel Cells
journal, July 2014


Reversible redox reactions in an epitaxially stabilized SrCoOx oxygen sponge
journal, August 2013

  • Jeen, Hyoungjeen; Choi, Woo Seok; Biegalski, Michael D.
  • Nature Materials, Vol. 12, Issue 11
  • DOI: 10.1038/nmat3736

Nanoionics-based resistive switching memories
journal, November 2007

  • Waser, Rainer; Aono, Masakazu
  • Nature Materials, Vol. 6, Issue 11, p. 833-840
  • DOI: 10.1038/nmat2023

Polar Oxides without Inversion Symmetry through Vacancy and Chemical Order
journal, February 2017

  • Young, Joshua; Moon, Eun Ju; Mukherjee, Debangshu
  • Journal of the American Chemical Society, Vol. 139, Issue 7
  • DOI: 10.1021/jacs.6b10697

Topotactic Metal-Insulator Transition in Epitaxial SrFeO x Thin Films
journal, July 2017


Electronic Structure Evolution of SrCoO x during Electrochemically Driven Phase Transition Probed by in Situ X-ray Spectroscopy
journal, October 2016

  • Lu, Qiyang; Chen, Yan; Bluhm, Hendrik
  • The Journal of Physical Chemistry C, Vol. 120, Issue 42
  • DOI: 10.1021/acs.jpcc.6b07544

Electric-field control of tri-state phase transformation with a selective dual-ion switch
journal, May 2017

  • Lu, Nianpeng; Zhang, Pengfei; Zhang, Qinghua
  • Nature, Vol. 546, Issue 7656
  • DOI: 10.1038/nature22389

Electric-field control of ferromagnetism through oxygen ion gating
journal, December 2017


Multiferroic and magnetoelectric materials
journal, August 2006

  • Eerenstein, W.; Mathur, N. D.; Scott, J. F.
  • Nature, Vol. 442, Issue 7104
  • DOI: 10.1038/nature05023

First-Principles Materials Design of High-Performing Bulk Photovoltaics with the Li Nb O 3 Structure
journal, November 2015


Multiferroic memories
journal, March 2007


Bandgap tuning of multiferroic oxide solar cells
journal, November 2014


Improper ferroelectrics
journal, February 1974


Atomistic theory of hybrid improper ferroelectricity in perovskites
journal, May 2014


Improper ferroelectricity in perovskite oxide artificial superlattices
journal, April 2008

  • Bousquet, Eric; Dawber, Matthew; Stucki, Nicolas
  • Nature, Vol. 452, Issue 7188
  • DOI: 10.1038/nature06817

Hybrid Improper Ferroelectricity: A Mechanism for Controllable Polarization-Magnetization Coupling
journal, March 2011


Octahedral Rotation-Induced Ferroelectricity in Cation Ordered Perovskites
journal, April 2012


Atomic Scale Design of Polar Perovskite Oxides without Second-Order Jahn–Teller Ions
journal, November 2013

  • Young, Joshua; Rondinelli, James M.
  • Chemistry of Materials, Vol. 25, Issue 22
  • DOI: 10.1021/cm402550q

A New Type of the Ferroelectric Phase Transition: A New Type of the Ferroelectric Phase Transition
journal, April 1973


Nature of the ferroelectric phase transition in multiferroic BiFeO 3 from first principles
journal, March 2009


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


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


Crystallographic and magnetic structure of SrCoO 2.5 brownmillerite: Neutron study coupled with band-structure calculations
journal, August 2008


Crystallographic and magnetic characterisation of the brownmillerite Sr2Co2O5
journal, March 2011

  • Sullivan, Eirin; Hadermann, Joke; Greaves, Colin
  • Journal of Solid State Chemistry, Vol. 184, Issue 3
  • DOI: 10.1016/j.jssc.2011.01.026

The crystal structure of brownmillerite, Ca2FeAlO5
journal, December 1971

  • Colville, A. A.; Geller, S.
  • Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry, Vol. 27, Issue 12
  • DOI: 10.1107/S056774087100579X

Crystal and magnetic structures of the brownmillerite Ca 2 Cr 2 O 5
journal, January 2015

  • Arevalo-Lopez, Angel M.; Attfield, J. Paul
  • Dalton Transactions, Vol. 44, Issue 23
  • DOI: 10.1039/C4DT03780D

Scaling of extended defects in nano-sized Brownmillerite CaFeO 2.5 : Extended defects in nano-sized Brownmillerite CaFeO
journal, May 2013


Tetrahedral Chain Order in the Sr 2 Fe 2 O 5 Brownmillerite
journal, November 2008

  • D’Hondt, Hans; Abakumov, Artem M.; Hadermann, Joke
  • Chemistry of Materials, Vol. 20, Issue 22
  • DOI: 10.1021/cm801723b

Landau theory of incommensurate phases in thiourea
journal, October 1985


Pressure-Induced Multiferroics via Pseudo Jahn-Teller Effects and Novel Couplings
journal, December 2016

  • Xu, Changsong; Li, Yang; Xu, Bin
  • Advanced Functional Materials, Vol. 27, Issue 3
  • DOI: 10.1002/adfm.201604513

Magnetic control of ferroelectric polarization
journal, November 2003


Ferroelectricity in Rb 2 ZnCl 4
journal, December 1977

  • Sawada, Shozo; Shiroishi, Yoshihiro; Yamamoto, Akitoshi
  • Journal of the Physical Society of Japan, Vol. 43, Issue 6
  • DOI: 10.1143/JPSJ.43.2099

Ferroelectricity in K 2 SeO 4
journal, April 1969

  • Aiki, Kunio; Hukuda, Kenzi; Matumura, On
  • Journal of the Physical Society of Japan, Vol. 26, Issue 4
  • DOI: 10.1143/JPSJ.26.1064

Near room-temperature multiferroic materials with tunable ferromagnetic and electrical properties
journal, May 2014

  • Zhao, Hong Jian; Ren, Wei; Yang, Yurong
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5021

Epitaxially grown YMnO 3 film: New candidate for nonvolatile memory devices
journal, August 1996

  • Fujimura, Norifumi; Ishida, Tadashi; Yoshimura, Takeshi
  • Applied Physics Letters, Vol. 69, Issue 7
  • DOI: 10.1063/1.117969

Structures of the ferroelectric phases of barium titanate
journal, March 1993

  • Kwei, G. H.; Lawson, A. C.; Billinge, S. J. L.
  • The Journal of Physical Chemistry, Vol. 97, Issue 10
  • DOI: 10.1021/j100112a043