Please use this identifier to cite or link to this item: http://archive.cmb.ac.lk:8080/xmlui/handle/70130/3978
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dc.contributor.authorProfeta, G.-
dc.contributor.authorFranchini, C.-
dc.contributor.authorGamalath, K.A.I.L.W.-
dc.contributor.authorContinenza, A.-
dc.date.accessioned2013-05-16T03:03:44Z-
dc.date.available2013-05-16T03:03:44Z-
dc.date.issued2010-
dc.identifier.citationPhysical review B 82, 195407 (2010)en_US
dc.identifier.urihttp://archive.cmb.ac.lk:8080/xmlui/handle/70130/3978-
dc.description.abstractThe structural, electronic, and magnetic properties of several different terminations of the BaFe2As2(001) surface are investigated by means of first-principles calculations. Analysis of the surface stability as a function of the chemical potentials reveals that the three possible terminations (As, full and half Ba coverage) can all be stabilized in different chemical-potential ranges. We determine the most stable structure in each case and study its magnetic and electronic properties. A study of the scanning tunnel microscope maps and work functions provides helpful insights for the interpretation of the still debated experimental findings.en_US
dc.language.isoenen_US
dc.titleFirst-principles investigation of BaFe2As2(001)en_US
dc.typeResearch Abstracten_US
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