skip to main content
DOE PAGES 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

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1463207
Grant/Contract Number:  
ER-46612
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 8; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

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. Tue . "Novel type of ferroelectricity in brownmillerite structures: A first-principles study". United States. doi:10.1103/PhysRevMaterials.2.084402.
@article{osti_1463207,
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 = {},
doi = {10.1103/PhysRevMaterials.2.084402},
journal = {Physical Review Materials},
number = 8,
volume = 2,
place = {United States},
year = {2018},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevMaterials.2.084402

Save / Share:

Works referenced in this record:

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

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


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

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

Magnetic control of ferroelectric polarization
journal, November 2003


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

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

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


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

Bandgap tuning of multiferroic oxide solar cells
journal, November 2014


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

Landau theory of incommensurate phases in thiourea
journal, October 1985


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

Improper ferroelectrics
journal, February 1974


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


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


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


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


Multiferroic memories
journal, March 2007


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

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


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

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


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

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


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

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

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


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


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

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

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

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

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