Interactions of charged domain walls and oxygen vacancies in BaTiO3: a first-principles study

Materials Today Physics ◽

10.1016/j.mtphys.2018.06.002 ◽

2018 ◽

Vol 6 ◽

pp. 9-21 ◽

Cited By ~ 5

Author(s):

J.J. Gong ◽

C.F. Li ◽

Y. Zhang ◽

Y.Q. Li ◽

S.H. Zheng ◽

...

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

Domain Walls ◽

First Principles Study

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Oxygen vacancies induced ferromagnetic behaviors in Co3O4–: An experimental and first-principles study

Thin Solid Films ◽

10.1016/j.tsf.2018.06.022 ◽

2018 ◽

Vol 660 ◽

pp. 287-293 ◽

Cited By ~ 2

Author(s):

P. Wang ◽

C. Jin ◽

P. Li ◽

D.X. Zheng ◽

J.L. Gong ◽

...

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study

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Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study

Applied Physics Letters ◽

10.1063/1.3040306 ◽

2008 ◽

Vol 93 (22) ◽

pp. 223104 ◽

Cited By ~ 19

Author(s):

Naoto Umezawa ◽

Motoyuki Sato ◽

Kenji Shiraishi

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Charged Defects

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Tritium trapping and migration mechanisms in Li2O: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/c8cp07187j ◽

2019 ◽

Vol 21 (10) ◽

pp. 5474-5480

Author(s):

Xin Xiang ◽

Guikai Zhang ◽

Feilong Yang ◽

Tao Tang

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Migration Mechanism ◽

And Migration

The tritium migration mechanism in Li2O is that the bred tritium is firstly trapped by oxygen vacancies, the tritium detrapped from oxygen vacancies subsequently forms tritium substituents, which then migrate by hopping along the lithium lattice.

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Bridging or in-Plane Oxygen Vacancies for a High-Performance Chemoresistive Gas Sensors? a First-Principles Study

ECS Meeting Abstracts ◽

10.1149/ma2020-01282111mtgabs ◽

2020 ◽

Vol MA2020-01 (28) ◽

pp. 2111-2111

Author(s):

Soufiane Krik ◽

Andrea Gaiardo ◽

Matteo Valt ◽

Barbara Fabbri ◽

Cesare Malagù ◽

...

Keyword(s):

Gas Sensors ◽

First Principles ◽

High Performance ◽

Oxygen Vacancies ◽

First Principles Study

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Influence of oxygen vacancies on the spontaneous polarisation and piezoelectricity of ZnO: a first-principles study

International Journal of Nanomanufacturing ◽

10.1504/ijnm.2019.102696 ◽

2019 ◽

Vol 15 (4) ◽

pp. 369

Author(s):

Haibo Niu ◽

Guangde Chen ◽

Youzhang Zhu ◽

Yelong Wu ◽

Honggang Ye

Keyword(s):

First Principles ◽

Oxygen Vacancies ◽

First Principles Study ◽

Spontaneous Polarisation

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First-principles study for the atomic structures and electronic properties of PbTiO3 oxygen-vacancies (001) surface

Surface Science ◽

10.1016/j.susc.2007.08.026 ◽

2007 ◽

Vol 601 (23) ◽

pp. 5412-5418 ◽

Cited By ~ 6

Author(s):

Meng-Qiu Cai ◽

Chun-Hong Tang ◽

Xin Tan ◽

Hui-Qiu Deng ◽

Wang-Yu Hu ◽

...

Keyword(s):

Electronic Properties ◽

First Principles ◽

Oxygen Vacancies ◽

Atomic Structures ◽

First Principles Study

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First-principles study of180∘domain walls inBaTiO3: Mixed Bloch-Néel-Ising character

Physical Review B ◽

10.1103/physrevb.90.054106 ◽

2014 ◽

Vol 90 (5) ◽

Cited By ~ 25

Author(s):

Menglei Li ◽

Yijia Gu ◽

Yi Wang ◽

Long-Qing Chen ◽

Wenhui Duan

Keyword(s):

First Principles ◽

Domain Walls ◽

First Principles Study

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First-principles study of oxygen-vacancy pinning of domain walls inPbTiO3

Physical Review B ◽

10.1103/physrevb.68.134103 ◽

2003 ◽

Vol 68 (13) ◽

Cited By ~ 199

Author(s):

Lixin He ◽

David Vanderbilt

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Domain Walls ◽

First Principles Study ◽

Pinning Of Domain Walls

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First-principles study of ferroelectric domain walls in multiferroic bismuth ferrite

Physical Review B ◽

10.1103/physrevb.80.104110 ◽

2009 ◽

Vol 80 (10) ◽

Cited By ~ 190

Author(s):

Axel Lubk ◽

S. Gemming ◽

N. A. Spaldin

Keyword(s):

First Principles ◽

Domain Walls ◽

Bismuth Ferrite ◽

Ferroelectric Domain ◽

First Principles Study

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Erratum: Domain walls in a perovskite oxide with two primary structural order parameters: First-principles study ofBiFeO3[Phys. Rev. B87, 024102 (2013)]

Physical Review B ◽

10.1103/physrevb.89.059901 ◽

2014 ◽

Vol 89 (5) ◽

Cited By ~ 2

Author(s):

Oswaldo Diéguez ◽

Pablo Aguado-Puente ◽

Javier Junquera ◽

Jorge Íñiguez

Keyword(s):

First Principles ◽

Domain Walls ◽

Order Parameters ◽

Perovskite Oxide ◽

Structural Order ◽

First Principles Study

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