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000020701 084__ $$2WoS$$aPhysics, Condensed Matter
000020701 1001_ $$0P:(DE-HGF)0$$aPuschnig, P.$$b0
000020701 245__ $$aOrbital tomography: Deconvoluting photoemission spectra of organic molecules
000020701 260__ $$aCollege Park, Md.$$bAPS$$c2011
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000020701 440_0 $$04919$$aPhysical Review B$$v84$$x1098-0121
000020701 500__ $$3POF3_Assignment on 2016-02-29
000020701 500__ $$aWe acknowledge financial support from the Austrian Science Fund (FWF), projects S97-04 and S97-14 and P21330-N20 and P23190-N16, and from the Deutsche Forschungsgemeinschaft, project TA-244. We further acknowledge the Helmholtz-Zentrum-Berlin, Electron storage ring BESSY II for provision of synchrotron radiation at beamline U125/2-SGM, and in particular we thank Dr. Christian Schussler-Langeheine for assistance. We would also like to thank Prof. Falko P. Netzer and Prof. Thomas Seyller for discussions. The research leading to these results has received funding from the European Community's Seventh Framework Programme (FP7/2007-2013) under grant agreement number 226716.
000020701 520__ $$aWe study the interface of an organic monolayer with a metallic surface, i.e., PTCDA (3,4,9,10-perylene-tetracarboxylic-dianhydride) on Ag(110), by means of angle-resolved photoemission spectroscopy (ARPES) and ab initio electronic structure calculations. We present a tomographic method that uses the energy and momentum dependence of ARPES data to deconvolute spectra into individual orbital contributions beyond the limits of energy resolution. This provides an orbital-by-orbital characterization of large adsorbate systems without the need to invoke a sophisticated theory of photoemission, allowing us to directly estimate the effects of bonding on individual orbitals. Moreover, these experimental data serve as a most stringent test necessary for the further development of ab initio electronic structure theory.
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000020701 7001_ $$0P:(DE-HGF)0$$aReinisch, E.-M.$$b1
000020701 7001_ $$0P:(DE-HGF)0$$aUles, T.$$b2
000020701 7001_ $$0P:(DE-HGF)0$$aKoller, G.$$b3
000020701 7001_ $$0P:(DE-Juel1)VDB73518$$aSoubatch, S.$$b4$$uFZJ
000020701 7001_ $$0P:(DE-HGF)0$$aOstler, M.$$b5
000020701 7001_ $$0P:(DE-HGF)0$$aRomaner, L.$$b6
000020701 7001_ $$0P:(DE-Juel1)128791$$aTautz, F.S.$$b7$$uFZJ
000020701 7001_ $$0P:(DE-HGF)0$$aAmbrosch-Draxl, C.$$b8
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000020701 8567_ $$uhttp://dx.doi.org/10.1103/PhysRevB.84.235427
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000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.progsurf.2008.10.002
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.94.026803
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.74.041402
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1038/nature05270
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cplett.2007.03.001
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/20/18/184001
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.102.177405
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.195208
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.79.201205
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.82.129903
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.107.193002
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1126/science.1143239
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.77.115312
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1126/science.1176105
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.104.233004
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.elspec.2010.10.006
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.elspec.2005.01.022
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.cpc.2009.07.007
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.43.1993
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.77.3865
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.1564060
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1063/1.2204597
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.47.558
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.59.1758
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.73.233103
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.34.5390
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.82.041103
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.10.5030
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.51.13614
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.67.081404
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.elspec.2010.03.007
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.50.17953
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.13.5188
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.40.3616
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.46.16067
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.99.176401
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/1367-2630/11/5/053010
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.99.256801
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1002/sia.2645
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1088/0953-8984/14/11/302
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.progsurf.2007.09.001
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(98)00733-X
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/j.susc.2005.12.050
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevLett.94.036106
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1103/PhysRevB.76.165436
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1039/c0cp01458c
000020701 999C5 $$2Crossref$$9-- missing cx lookup --$$a10.1016/S0039-6028(97)00888-1