This title appears in the Scientific Report :
2010
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevB.82.165127 in citations.
Please use the identifier: http://hdl.handle.net/2128/10960 in citations.
Polarity-induced oxygen vacancies at LaAlO3/SrTiO3 interfaces
Polarity-induced oxygen vacancies at LaAlO3/SrTiO3 interfaces
Using first-principles density-functional-theory calculations, we find a strong position and thickness dependence of the formation energy of oxygen vacancies in LaAlO3 vertical bar SrTiO3 (LAO vertical bar STO) multilayers and interpret this with an analytical capacitor model. Oxygen vacancies are p...
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Personal Name(s): | Zhong, Z. |
---|---|
Xu, P. X. / Kelly, P. J. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Quanten-Theorie der Materialien; IFF-1 |
Published in: | Physical Review B Physical review / B, 82 82 (2010 2010) 16 16, S. 165127 165127 |
Imprint: |
College Park, Md.
APS
2010
|
Physical Description: |
165127 |
DOI: |
10.1103/PhysRevB.82.165127 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review B
82 |
Subject (ZB): | |
Link: |
Get full text OpenAccess OpenAccess |
Publikationsportal JuSER |
Please use the identifier: http://hdl.handle.net/2128/10960 in citations.
Using first-principles density-functional-theory calculations, we find a strong position and thickness dependence of the formation energy of oxygen vacancies in LaAlO3 vertical bar SrTiO3 (LAO vertical bar STO) multilayers and interpret this with an analytical capacitor model. Oxygen vacancies are preferentially formed at p-type SrO vertical bar AlO2 rather than at n-type LaO vertical bar TiO2 interfaces; the excess electrons introduced by the oxygen vacancies reduce their energy by moving to the n-type interface. This asymmetric behavior makes an important contribution to the conducting (insulating) nature of n-type (p-type) interfaces while providing a natural explanation for the failure to detect evidence for the polar catastrophe in the form of core level shifts. |