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dc.contributor.authorTsay, Shiow-Fonen_US
dc.contributor.authorLin, D. -S.en_US
dc.date.accessioned2014-12-08T15:09:11Z-
dc.date.available2014-12-08T15:09:11Z-
dc.date.issued2009-07-01en_US
dc.identifier.issn0039-6028en_US
dc.identifier.urihttp://dx.doi.org/10.1016/j.susc.2009.04.007en_US
dc.identifier.urihttp://hdl.handle.net/11536/7004-
dc.description.abstractDensity functional theory (DFT) with LDA and GGA have been employed to study the interface and thin film properties of NaCl on a Ge(0 0 1) surface. The atomic and electronic structures of thin NaCl films from one to ten monolayers were analyzed. The layer adsorption energies show that a quasi-crystalline (0 0 1) fcc NaCl film is built up via a layer-by-layer growth mode with NaCl thickness above 2 ML. Simulated STM images show a well-resolved (1 x 1) NaCl atomic structure for sample bias voltage V(s) < -2.5 V and the bright protrusions should be assigned to the Cl(-) ions of the NaCl film. The Ge substrate dimer is reserved and buckled like a clean Ge(0 0 1)-p(2 x 2) surface as the result of weak interface interaction between the dangling bonds coming from valence pi states of the Ge substrate and the 3p states of the interfacial Cl(-) ion. These results are consistent with the experiments of STM, LEED and EELS. (C) 2009 Elsevier B.V. All rights reserved.en_US
dc.language.isoen_USen_US
dc.subjectDensity functional calculationsen_US
dc.subjectSemiconductor-insulator interfacesen_US
dc.subjectAlkali halidesen_US
dc.subjectGermaniumen_US
dc.subjectSurface structureen_US
dc.subjectThin film structuresen_US
dc.subjectSurface electronic phenomenaen_US
dc.titleAtomic and electronic structures of thin NaCl films grown on a Ge(001) surfaceen_US
dc.typeArticleen_US
dc.identifier.doi10.1016/j.susc.2009.04.007en_US
dc.identifier.journalSURFACE SCIENCEen_US
dc.citation.volume603en_US
dc.citation.issue13en_US
dc.citation.spage2102en_US
dc.citation.epage2107en_US
dc.contributor.department物理研究所zh_TW
dc.contributor.departmentInstitute of Physicsen_US
dc.identifier.wosnumberWOS:000267083500019-
dc.citation.woscount4-
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