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@ARTICLE{Zhong:12051,
author = {Zhong, Z. and Xu, P. X. and Kelly, P. J.},
title = {{P}olarity-induced oxygen vacancies at
{L}a{A}l{O}3/{S}r{T}i{O}3 interfaces},
journal = {Physical review / B},
volume = {82},
number = {16},
issn = {1098-0121},
address = {College Park, Md.},
publisher = {APS},
reportid = {PreJuSER-12051},
pages = {165127},
year = {2010},
note = {This work was supported by "NanoNed," a nanotechnology
program of the Dutch Ministry of Economic Affairs and by EC
under Contract No. IST-033749 DynaMax. The use of
supercomputer facilities was sponsored by the "Stichting
Nationale Computer Faciliteiten" (NCF) which is financially
supported by the "Nederlandse Organisatie voor
Weten-schappelijk Onderzoek" (NWO).},
abstract = {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.},
keywords = {J (WoSType)},
cin = {IAS-1 / IFF-1},
ddc = {530},
cid = {I:(DE-Juel1)IAS-1-20090406 / I:(DE-Juel1)VDB781},
pnm = {Grundlagen für zukünftige Informationstechnologien},
pid = {G:(DE-Juel1)FUEK412},
shelfmark = {Physics, Condensed Matter},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000283578100004},
doi = {10.1103/PhysRevB.82.165127},
url = {https://juser.fz-juelich.de/record/12051},
}