Magnetic and ferroelectric properties of 
Sr1−xBaxMnO3
 from first principles

Alexander Edström; Claude Ederer

doi:10.1103/physrevresearch.2.043183

Magnetic and ferroelectric properties of Sr1−xBaxMnO3 from first principles

Physical Review Research ◽

10.1103/physrevresearch.2.043183 ◽

2020 ◽

Vol 2 (4) ◽

Author(s):

Alexander Edström ◽

Claude Ederer

Keyword(s):

First Principles ◽

Ferroelectric Properties

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First principles study of electronic structure, magnetism and ferroelectric properties of rhombohedral AgFeO2

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2019.165296 ◽

2019 ◽

Vol 487 ◽

pp. 165296 ◽

Cited By ~ 1

Author(s):

Jayita Chakraborty ◽

Indra Dasgupta

Keyword(s):

Electronic Structure ◽

First Principles ◽

Ferroelectric Properties ◽

First Principles Study

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First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2

Physical Review B ◽

10.1103/physrevb.84.132105 ◽

2011 ◽

Vol 84 (13) ◽

Cited By ~ 18

Author(s):

A. Grünebohm ◽

C. Ederer ◽

P. Entel

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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Materials Design and Characterization of (Bi1/2Na1/2)TiO3-Bi(B’,B”)O3 Ceramics

Key Engineering Materials ◽

10.4028/www.scientific.net/kem.445.59 ◽

2010 ◽

Vol 445 ◽

pp. 59-62 ◽

Cited By ~ 2

Author(s):

Yumiko Oshima ◽

Yuuki Kitanaka ◽

Yuji Noguchi ◽

Masaru Miyayama

Keyword(s):

Solid Solution ◽

First Principles ◽

Structural Characteristics ◽

Ferroelectric Properties ◽

Materials Design ◽

Elastic Compliance ◽

First Principles Calculations ◽

Strain Measurements ◽

Piezoelectric Strain

0.995(Bi1/2Na1/2)TiO3-0.005Bi(B’,B”)O3 solid-solution ceramics (B’,B” denote Zn, Mg, Ni, Ti, Nb) were fabricated and their ferroelectric properties were investigated. Based on the structural characteristics of Bi(B’,B”)O3 analyzed by first-principles calculations, a materials design for obtaining a large piezoelectric strain is proposed: an index Z= Ps∙(ε33*∙s33)1/2, where Ps is spontaneous polarization, ε33* is relative permittivity and s33 is elastic compliance. A positive correlation was observed between Z and effective piezoelectric constant d33* observed for strain measurements.

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Magnetic and Ferroelectric Properties of BiCrO 3 from First-Principles Calculations

Chinese Physics Letters ◽

10.1088/0256-307x/31/10/107501 ◽

2014 ◽

Vol 31 (10) ◽

pp. 107501 ◽

Cited By ~ 1

Author(s):

Jun Ding ◽

Xiu-Bao Kang ◽

Li-Wei Wen ◽

Hai-Dong Li ◽

Jian-Min Zhang

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

First Principles Calculations

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First-principles study of the structural, electronic, magnetic, and ferroelectric properties of a charge-ordered iron(ii)-iron(iii) formate framework

The Journal of Chemical Physics ◽

10.1063/1.5116343 ◽

2019 ◽

Vol 151 (12) ◽

pp. 124704 ◽

Cited By ~ 3

Author(s):

Gang Tang ◽

Wei Ren ◽

Jiawang Hong ◽

Alessandro Stroppa

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

First Principles Study ◽

A Charge

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First-principles investigation of the elastic, photocatalytic and ferroelectric properties of LiNbO3-type LiSbO3 under high pressure

Materials Today Communications ◽

10.1016/j.mtcomm.2021.102406 ◽

2021 ◽

pp. 102406

Author(s):

Kun-Ren Su ◽

Xiang-Fu Xu ◽

Guo-Xia Lai ◽

Su-Mei Hu ◽

Wei-Ling Zhu ◽

...

Keyword(s):

High Pressure ◽

First Principles ◽

Ferroelectric Properties

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Reply to “Comment on ‘First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2’ ”

Physical Review B ◽

10.1103/physrevb.88.136102 ◽

2013 ◽

Vol 88 (13) ◽

Cited By ~ 1

Author(s):

A. Grünebohm ◽

C. Ederer ◽

P. Entel

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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First-principles study on structural, electronic, and ferroelectric properties of high-temperature RMn2O5 (R = Sm, Gd, Dy)

Materials Today Communications ◽

10.1016/j.mtcomm.2019.100837 ◽

2020 ◽

Vol 22 ◽

pp. 100837 ◽

Cited By ~ 1

Author(s):

Jian-Qing Dai ◽

Yong-Shen Lu ◽

Jin Yuan

Keyword(s):

High Temperature ◽

First Principles ◽

Ferroelectric Properties ◽

First Principles Study

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Bi-O covalency in PbTiO3-BiInO3 with enhanced ferroelectric properties: Synchrotron radiation diffraction and first-principles study

Applied Physics Letters ◽

10.1063/1.4881614 ◽

2014 ◽

Vol 104 (25) ◽

pp. 252901 ◽

Cited By ~ 7

Author(s):

Fangfang Wang ◽

Longlong Fan ◽

Yang Ren ◽

Jun Chen ◽

Xianran Xing

Keyword(s):

Synchrotron Radiation ◽

First Principles ◽

Ferroelectric Properties ◽

First Principles Study ◽

Synchrotron Radiation Diffraction

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Comment on “First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2”

Physical Review B ◽

10.1103/physrevb.88.136101 ◽

2013 ◽

Vol 88 (13) ◽

Cited By ~ 6

Author(s):

Keith Refson ◽

Barbara Montanari ◽

Pavlin D. Mitev ◽

Kersti Hermansson ◽

Nicholas M. Harrison

Keyword(s):

First Principles ◽

Ferroelectric Properties ◽

Rutile Tio2 ◽

First Principles Study

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