Ab-initio study of oxygen vacancy stability in bulk and Cerium-doped lutetium oxyorthosilicate

2018 ◽  
Vol 204 ◽  
pp. 499-505 ◽  
Author(s):  
Yongchao Jia ◽  
Anna Miglio ◽  
Xavier Gonze ◽  
Masayoshi Mikami
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Lutetium Oxyorthosilicate

Defect structure of oxygen-vacancy clusters in O18 and self ion implanted Fe(100) crystal by ion channeling and ab-initio study

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Vol 143 ◽  
pp. 198-204 ◽  
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Vairavel Mathayan ◽  
Saravanan Kothalamuthu ◽  
Jaiganesh Gnanasekaran ◽  
Lakshmanan Chelladurai ◽  
Rajaraman Ramalingam ◽  
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Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Defect Structure ◽  
Ab Initio Study ◽  
Vacancy Clusters ◽  
Ion Channeling ◽  
Ion Implanted

Ab initio study of oxygen-vacancy LaAlO 3 (001) surface

2008 ◽  
Vol 17 (2) ◽  
pp. 655-661 ◽  
Author(s):  
Tang Jin-Long ◽  
Zhu Jun ◽  
Qin Wen-Feng ◽  
Xiong Jie ◽  
Li Yan-Rong
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Ab Initio Study

Understanding Oxygen-Vacancy Migration in the Fluorite Oxide CeO2: An Ab Initio Study of Impurity-Anion Migration

2015 ◽  
Vol 119 (51) ◽  
pp. 28269-28275 ◽  
Author(s):  
Annalena R. Genreith-Schriever ◽  
Pascal Hebbeker ◽  
Judith Hinterberg ◽  
Tobias Zacherle ◽  
Roger A. De Souza
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Ab Initio Study ◽  
Vacancy Migration ◽  
Impurity Anion

scholarly journals Ab-initio study of hydrogen doping and oxygen vacancy at anatase TiO2 surface

AIP Advances ◽  
2014 ◽  
Vol 4 (2) ◽  
pp. 027129 ◽  
Author(s):  
M. Sotoudeh ◽  
S. J. Hashemifar ◽  
M. Abbasnejad ◽  
M. R. Mohammadizadeh
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Anatase Tio2 ◽  
Tio2 Surface ◽  
Ab Initio Study ◽  
Hydrogen Doping

Ab initio study of structural and electronic properties of SrTiO3 (001) oxygen-vacancy surfaces

2006 ◽  
Vol 124 (17) ◽  
pp. 174701 ◽  
Author(s):  
Meng-Qiu Cai ◽  
Yong-Jun Zhang ◽  
Guo-Wei Yang ◽  
Zhen Yin ◽  
Ming-Sheng Zhang ◽  
...  
Keyword(s):  
Oxygen Vacancy ◽  
Ab Initio ◽  
Electronic Properties ◽  
Ab Initio Study ◽  
Structural And Electronic Properties

An ab initio study of Se-reacted GaAs(0 0 1) surfaces

1998 ◽  
Vol 184-185 (1-2) ◽  
pp. 80-84 ◽  
Author(s):  
W Faschinger
Keyword(s):  
Ab Initio ◽  
Ab Initio Study
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