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2021 ◽  
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Lucia G. Appel
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Dft Study ◽  
Vacancy Formation ◽  
Co2 Activation ◽  
Oxygen Vacancy Formation ◽  
Ab Initio Dft

Ab Initio DFT+U Analysis of Oxygen Vacancy Formation and Migration in La1-xSrxFeO3-δ(x= 0, 0.25, 0.50)

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Ana B. Muñoz-García ◽  
Michele Pavone ◽  
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Emily A. Carter
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
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Ab Initio Dft

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Oxygen Vacancy ◽  
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Dft Study ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation

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Vol 254 ◽  
pp. 11-16 ◽  
Author(s):  
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Mike W. Finnis ◽  
Robert A. Evarestov ◽  
Joachim Maier
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Thermodynamic Study ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
Complex Perovskites ◽  
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Ab initio modeling of oxygen-vacancy formation in doped-HfOx RRAM: Effects of oxide phases, stoichiometry, and dopant concentrations

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pp. 013504 ◽  
Author(s):  
Liang Zhao ◽  
Sergiu Clima ◽  
Blanka Magyari-Köpe ◽  
Malgorzata Jurczak ◽  
Yoshio Nishi
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Vacancy Formation ◽  
Ab Initio Modeling ◽  
Oxygen Vacancy Formation ◽  
Oxide Phases

scholarly journals Oxygen vacancy formation energies in PbTiO3/SrTiO3 superlattice

2018 ◽  
Vol 2 (6) ◽  
Author(s):  
Lipeng Zhang ◽  
Isaac Bredeson ◽  
Axiel Y. Birenbaum ◽  
P. R. C. Kent ◽  
Valentino R. Cooper ◽  
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Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation ◽  
Formation Energies

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2016 ◽  
Vol 55 (2) ◽  
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Author(s):  
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Motoki Nakashima ◽  
Erumu Kikuchi ◽  
Noritaka Ishihara ◽  
Masashi Tsubuku ◽  
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Keyword(s):  
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Vacancy Formation ◽  
Oxygen Vacancy Formation

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Keyword(s):  
Oxygen Vacancy ◽  
Vacancy Formation ◽  
Oxygen Vacancy Formation
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