First-Principles Study of Lanthanum Strontium Manganite: Insights into Electronic Structure and Oxygen Vacancy Formation

Michele Pavone; Ana B. Muñoz-García; Andrew M. Ritzmann; Emily A. Carter

doi:10.1021/jp500352h

First-Principles Study of Lanthanum Strontium Manganite: Insights into Electronic Structure and Oxygen Vacancy Formation

The Journal of Physical Chemistry C ◽

10.1021/jp500352h ◽

2014 ◽

Vol 118 (25) ◽

pp. 13346-13356 ◽

Cited By ~ 49

Author(s):

Michele Pavone ◽

Ana B. Muñoz-García ◽

Andrew M. Ritzmann ◽

Emily A. Carter

Keyword(s):

Electronic Structure ◽

Oxygen Vacancy ◽

First Principles ◽

Vacancy Formation ◽

Lanthanum Strontium Manganite ◽

First Principles Study ◽

Lanthanum Strontium ◽

Oxygen Vacancy Formation

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Oxygen vacancy formation and migration in double perovskite Sr2CrMoO6: a first-principles study

RSC Advances ◽

10.1039/c6ra05581h ◽

2016 ◽

Vol 6 (49) ◽

pp. 43034-43040 ◽

Cited By ~ 8

Author(s):

Shuai Zhao ◽

Liguo Gao ◽

Chunfeng Lan ◽

Shyam S. Pandey ◽

Shuzi Hayase ◽

...

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Double Perovskite ◽

Vacancy Formation ◽

First Principles Study ◽

Oxygen Vacancy Formation ◽

And Migration ◽

Theoretical Insight ◽

Insight Into

These calculations provided theoretical insight into the effect of the B-site Cr and Mo on the oxygen vacancy formation and migration in the double perovskite Sr2CrMoO6 using the DFT+U method.

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Oxygen Vacancy Formation Accompanied by Hf Oligomer in Amorphous-HfOx-Bascd RRAM: A First Principles Study

2021 5th IEEE Electron Devices Technology & Manufacturing Conference (EDTM) ◽

10.1109/edtm50988.2021.9420841 ◽

2021 ◽

Author(s):

Siyao Yang ◽

Bin Gao ◽

Feng Xu ◽

Qi Hu ◽

Jianshi Tang ◽

...

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Vacancy Formation ◽

First Principles Study ◽

Oxygen Vacancy Formation

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First principles study on oxygen vacancy formation in rock salt-type oxides MO (M: Mg, Ca, Sr and Ba)

Ceramics International ◽

10.1016/j.ceramint.2012.10.079 ◽

2013 ◽

Vol 39 ◽

pp. S287-S292 ◽

Cited By ~ 9

Author(s):

Takashi Yamamoto ◽

Teruyasu Mizoguchi

Keyword(s):

Oxygen Vacancy ◽

Rock Salt ◽

First Principles ◽

Vacancy Formation ◽

First Principles Study ◽

Oxygen Vacancy Formation

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Electronic and geometric factors affecting oxygen vacancy formation on CeO2(111) surfaces: A first-principles study from trivalent metal doping cases

Applied Surface Science ◽

10.1016/j.apsusc.2019.143732 ◽

2019 ◽

Vol 497 ◽

pp. 143732 ◽

Cited By ~ 3

Author(s):

Qian Gao ◽

Jialei Hao ◽

Yuhao Qiu ◽

Shuanglin Hu ◽

Zhenpeng Hu

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Vacancy Formation ◽

Trivalent Metal ◽

Metal Doping ◽

Factors Affecting ◽

First Principles Study ◽

Geometric Factors ◽

Oxygen Vacancy Formation

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Effects of Concentration, Crystal Structure, Magnetism, and Electronic Structure Method on First-Principles Oxygen Vacancy Formation Energy Trends in Perovskites

The Journal of Physical Chemistry C ◽

10.1021/jp507957n ◽

2014 ◽

Vol 118 (49) ◽

pp. 28776-28790 ◽

Cited By ~ 54

Author(s):

Matthew T. Curnan ◽

John R. Kitchin

Keyword(s):

Crystal Structure ◽

Electronic Structure ◽

Oxygen Vacancy ◽

First Principles ◽

Formation Energy ◽

Vacancy Formation Energy ◽

Vacancy Formation ◽

Oxygen Vacancy Formation

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First principles study of the oxygen vacancy formation and the induced defect states in hafnium silicates

Journal of Applied Physics ◽

10.1063/1.3702578 ◽

2012 ◽

Vol 111 (7) ◽

pp. 074106 ◽

Cited By ~ 9

Author(s):

Tsung-Ju Chen ◽

Chin-Lung Kuo

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Vacancy Formation ◽

Defect States ◽

First Principles Study ◽

Oxygen Vacancy Formation

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Oxygen vacancy formation in the SrTiO3 Σ5 [001] twist grain boundary from first-principles

Journal of the American Ceramic Society ◽

10.1111/jace.15454 ◽

2018 ◽

Vol 101 (7) ◽

pp. 3118-3129 ◽

Cited By ~ 1

Author(s):

Maziar Behtash ◽

Yaqin Wang ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Oxygen Vacancy ◽

Grain Boundary ◽

First Principles ◽

Vacancy Formation ◽

Oxygen Vacancy Formation

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First-Principles Calculations of Oxygen Vacancy Formation and Metallic Behavior at a β-MnO2 Grain Boundary

ACS Applied Materials & Interfaces ◽

10.1021/am507273c ◽

2015 ◽

Vol 7 (3) ◽

pp. 1726-1734 ◽

Cited By ~ 33

Author(s):

James A. Dawson ◽

Hungru Chen ◽

Isao Tanaka

Keyword(s):

Oxygen Vacancy ◽

Grain Boundary ◽

First Principles ◽

Vacancy Formation ◽

First Principles Calculations ◽

Metallic Behavior ◽

Oxygen Vacancy Formation

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Oxygen vacancy formation and the induced defect states in HfO2 and Hf-silicates – A first principles hybrid functional study

Microelectronics Reliability ◽

10.1016/j.microrel.2013.10.013 ◽

2014 ◽

Vol 54 (6-7) ◽

pp. 1119-1124 ◽

Cited By ~ 5

Author(s):

Tsung-Ju Chen ◽

Chin-Lung Kuo

Keyword(s):

Oxygen Vacancy ◽

First Principles ◽

Vacancy Formation ◽

Functional Study ◽

Defect States ◽

Hybrid Functional ◽

Oxygen Vacancy Formation

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Oxygen vacancy formation energy and its effect on spontaneous polarization inBi4Ti3O12: A first-principles theoretical study

Physical Review B ◽

10.1103/physrevb.78.092106 ◽

2008 ◽

Vol 78 (9) ◽

Cited By ~ 22

Author(s):

T. Hashimoto ◽

H. Moriwake

Keyword(s):

Oxygen Vacancy ◽

Spontaneous Polarization ◽

First Principles ◽

Formation Energy ◽

Theoretical Study ◽

Vacancy Formation Energy ◽

Vacancy Formation ◽

Oxygen Vacancy Formation

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