Publications

1989

Journal Article

Dabrowski, J. and M. Scheffler: The isolated arsenic antisite defect in GaAs and the properties of EL2. Physical Review B 40, 10391–10401 (1989).

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Ferm, P., F. Budde, V. Hamza, S. Jakubith, G. Ertl, D. Weide, P. Andresen and H.-J. Freund: UV-laser-induced photodesorption of NO from NiO. Surface Science 218 (2-3), 467–493 (1989).

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Journal Article

Giersig, M., W. Kunath, I. Pribilla, G. Bandini and F. Hucho: Symmetry and Dimensions of Membrane-Bound Nicotinic Acetylcholine Receptors from Torpedo californica Electric Tissue: Rapid Rearrangement to Two-Dimensional Ordered Lattices. Membrane Biochemistry 8 (2), 81–93 (1989).

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Journal Article

Graen, H.H., M. Neuber, M. Neumann, G. Illing, H.-J. Freund and F.-P. Netzer: Thermal evolution of benzene adsorbate phases on a Os(0001) surface. Surface Science 223 (1-2), 33–55 (1989).

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Kuhlenbeck, H., H.B. Saalfeld, U. Buskotte, M. Neumann, H.-J. Freund and E.W. Plummer: π-d backbonding band dispersion and final-state effects for the (2×1) p2mg phase of CO on Ni(110). Physical Review B 39 (6), 3475–3488 (1989).

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publisher-version

Journal Article

Meijer, G., J. Heinze, W.L. Meerts, J.J.ter Meulen and J. T Hougen: High-resolution spectroscopy on the Ã¹B₁ (0, 6, 0) ←X̃¹A₁(0, 0, 0) transition in SiCl₂. Journal of Molecular Spectroscopy 138 (1), 251–263 (1989).

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Journal Article

Montano, P.A., J. Zhao, M. Ramanthan, G.K. Shènoy, W. Schulze and J. Urban: Structure of silver microclusters. Chemical Physics Letters 164 (2-3), 126–130 (1989).

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Journal Article

Overhof, H., M. Scheffler and C.M. Weinert: Computation of hyperfine interactions for substitutional Se^+ and S^+ impurities in silicon. Mat. Sci. Forum 38-41, 293–298 (1989).

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Overhof, H., M. Scheffler and C.M. Weinert: Ab-initio calculations of hyperfine fields for chalcogen point defects and defect pairs in silicon: Identification of the pair atomic structure. Materials Science and Engineering B 4, 315–319 (1989).

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Journal Article

Paál, Z., H. Zimmer, J.R. Günter, R. Schlögl and M. Muhler: Sintering of platinum-black in hydrogen: Morphology and catalytic activity. Journal of Catalysis 119 (1), 146–160 (1989).

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Scheffler, M.: Chemical binding, stability and metastability of defects in semiconductors. Festkörperprobleme 29, 231–250 (1989).

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Scherz, U., D. Weider and M. Scheffler: Electronic and vibrational properties of deep centers in semiconductors. Egyp. J. Sol. 12, 1 (1989).

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Journal Article

Wambach, J., G. Odörfer, H.-J. Freund, H. Kuhlenbeck and M. Neumann: Influence of alkali co-adsorption on the adsorption and reaction of CO₂ on Pd(111). Surface Science 209 (1-2), 159–172 (1989).

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Journal Article

Weider, D., M. Scheffler and U. Scherz: Parameter-free calculations of the pressure dependence of impurity levels, entropies and of defect-formation volumes. Mat. Sci. Forum 38-41, 299–304 (1989).

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Wohlrab, S., D. Ehrlich, J. Wambach, H. Kuhlenbeck and H.-J. Freund: Promoter action of alkali in the activation of CO₂ on Pd(111): A HREELS case study. Surface Science 220 (2-3), 243–252 (1989).

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Journal Article

Wolf, M., J. Loboda-Cackovic, K. Kambe, J.H. Block and M. Grunze: Anomalous electron energy-loss spectra of Ni(430) and a disordering of atomic steps. Journal of Physics: Condensed Matter 1 (23), 3701–3709 (1989).

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1988

Journal Article

Andresen, P., A. Bath, W. Gröger, H.W. Lülf, G. Meijer and and J.J.ter Meulen: Laser-induced fluorescence with tunable excimer lasers as a possible method for instantaneous temperature field measurements at high pressures: checks with an atmospheric flame. Applied Optics 27 (2), 365–378 (1988).

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Bigelow, R.W., K.-Y. Law, D.H.-K. Pan and H.-J. Freund: Charge-transfer shake-up satellites accompanying core ionization in organic donor/acceptor molecules: bis(4-dimethylaminophenyl)squaraine and its derivatives. Journal of Electron Spectroscopy and Related Phenomena 46 (1), 1–17 (1988).

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Journal Article

Budde, F., A.V. Hamza, P. Ferm, G. Ertl, D. Weide, P. Andresen and H.-J. Freund: Photodesorption of NO from Ni(100)-O. Physical Review Letters 60 (15), 1518–1521 (1988).

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publisher-version

Journal Article

Dabrowski, J. and M. Scheffler: Ab-initio calculations for native point defects in GaAs. Proc. 5th Conf. on Semi-Insulating III-V Materials 37–42 (1988).

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Dabrowski, J. and M. Scheffler: The EL2 defect in GaAs. Proc. 8th Int. School on Defects in Crystals 425–430 (1988).

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Dabrowski, J. and M. Scheffler: Theoretical evidence for an optically inducible structural transition of the isolated As antisite in GaAs: Identification and explanation of EL2. Physical Review Letters 60, 2183–2186 (1988).

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Freund, H.-J. and M. Neumann: Photoemission of Molecular Adsorbates. Applied Physics A 47 (1), 3–23 (1988).

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Journal Article

Heskett, D., K.-H. Frank, K. Horn, E.E. Koch, H.-J. Freund, A. Baddorf, K.-D. Tsuei and E.W. Plummer: Correlation between electron loss and inverse photoemission measurements of alkali metals on metal surfaces. Physical Review B 37 (17), 10387–10390 (1988).

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publisher-version

Journal Article

Illing, G., D. Heskett, E.W. Plummer, H.-J. Freund, J.S. Somers, T. Lindner, A.M. Bradshaw, U. Buskotte, M. Neumann, U. Starke, K. Heinz, P.L. DeAndres, D. Saldin and J.B. Pendry: Adsorption and reaction of CO2 on Ni{110}: X-ray photoemission, near-edge X-ray absorption fine-structure and diffuse leed studies. Surface Science 206 (1-2), 1–19 (1988).

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Journal Article

Máca, F. and M. Scheffler: Calculation of electronic structure for a crystal surface or interface. Proc. 4th Symposium on Surface Physics 221–224 (1988).

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Journal Article

Máca, F. and M. Scheffler: Surface Green's function for a rumpled crystal surface. Comput. Phys. Commun. 51, 381–390 (1988).

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Journal Article

Meijer, G., M. Ebben and J.J.ter Meulen: High-resolution spectroscopy of highly excited electronic states by pulsed-cw double resonance in a molecular beam. A study of the NO(E-A) system. Chemical Physics 127 (1-3), 173–187 (1988).

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Journal Article

Meijer, G., M. Ebben and J.J.ter Meulen: High-resolution study of the NO E ²Σ⁺ ← A ²Σ⁺ transition by pulsed-cw double resonance. Chemical Physics Letters 147 (6), 525–528 (1988).

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Journal Article

Meijer, G., A.M. Wodtke, H. Voges, H. Schlüter and P. Andresen: State‐selective detection of CO using a tunable ArF excimer laser. The Journal of Chemical Physics 89 (4), 2588–2589 (1988).

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publisher-version

Journal Article

Odörfer, G., E.W. Plummer, H.-J. Freund, H. Kuhlenbeck and M. Neumann: On the electronic structure of the coadsorbate system CO + O (2×1)/Pd(111): A precursor for CO₂ formation. Surface Science 198 (3), 331–359 (1988).

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Journal Article

Said, M., F. Máca, K. Kambe, M. Scheffler and N.E. Christensen: Electronic structure of fcc and bcc close-packed silver surfaces. Physical Review B 38, 8505–8507 (1988).

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publisher-version

Journal Article

Scheffler, M.: Thermodynamic aspects of bulk and surface defects - first-principle calculations. Physics of Solid Surfaces 1987 4, 115–122 (1988).

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Journal Article

Scheffler, M. and J. Dabrowski: Parameter-free calculations of total energies, interatomic forces and vibrational entropies of defects in semiconductors. Philosophical Magazine A 58 (1), 107–121 (1988).

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Journal Article

Weinert, C.M., F. Beeler and M. Scheffler: Total-energy calculation for isolated oxygen impurities in silicon. J. Phys. C 21, 841–846 (1988).

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Journal Article

Wodtke, A.M., L. Huwel, H. Schluter, G. Meijer, P. Andersen and H. Voges: High-sensitivity detection of NO in a flame using a tunable ArF laser. Optics Letters 13 (10), 910–912 (1988).

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Journal Article

Wodtke, A.M., L. Huwel, H. Schlüter, H. Voges, G. Meijer and P. Andresen: Predissociation of O₂ in the B state. The Journal of Chemical Physics 89 (4), 1929–1935 (1988).

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publisher-version

Journal Article

Wolf, M. and K.D. Schotte: Ising model with competing next-nearest-neighbour interactions on the Kagome lattice. Journal of Physics A: Mathematical and General 21 (9), 2195–2209 (1988).

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DOI

1987

Journal Article

Bartos, B., H.-J. Freund, H. Kuhlenbeck, M. Neumann, H. Lindner and K. Müller: Adsorption and reaction of CO₂ and CO₂/O CO-adsorption on Ni(110): Angle resolved photoemission (ARUPS) and electron energy loss (HREELS) studies. Surface Science 179 (1), 59–89 (1987).

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Journal Article

Beeler, F., O.K. Andersen and M. Scheffler: Electronic structure calculation of 3d and 4d transition metal point defects in silicon. Proc. 18th Int. Conf. on the Physics of Semiconductors 875–878 (1987).

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Journal Article

Beeler, F., O. Jepsen, O.K. Andersen, O. Gunnarsson and M. Scheffler: Electronic structure calculation of point defects in silicon. Comput. Phys. Comm. 44, 297–305 (1987).

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Journal Article

Behner, H., W. Spiess, G. Wedler, D. Borgmann and H.-J. Freund: Electron energy loss study of the electronically excited states of adsorbed CO₂: Case study CO₂/Fe. Surface Science 184 (3), 335–344 (1987).

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Journal Article

Engel, V., G. Meijer, A. Bath, P. Andresen and R. Schinke: The C̃→Ã emission in water: Theory and experiment. The Journal of Chemical Physics 87 (8), 4310–4314 (1987).

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publisher-version

Journal Article

Freund, H.-J., B. Bartos, R.P. Messmer, H. Grunze, H. Kuhlenbeck and M. Neumann: The adsorption of N₂ on Fe(111): Angle resolved photoemission and theoretical model studies. Surface Science 185 (1-2), 187–202 (1987).

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Journal Article

Freund, H.-J., H. Behner, B. Bartos, G. Wedler, H. Kuhlenbeck and M. Neumann: CO₂ adsorption and reaction on Fe(111): An angle resolved photoemission (ARUPS) study. Surface Science 180 (2-3), 550–564 (1987).

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Journal Article

Freund, H.-J., H. Kossmann and V. Schmidt: Photoionization of inner valence electrons in gaseous NO: a synchrotron radiation study. Chemical Physics Letters 137 (5), 425–430 (1987).

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Journal Article

Freund, H.-J. and C.M. Llegener: Autoionization of CO after C 1s→ Zπ* excitation: a comparison with photoemission and auger decay. Chemical Physics Letters 134 (1), 70–75 (1987).

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Journal Article

Heskett, D., K.-H. Frank, E.E. Koch and H.-J. Freund: Unoccupied electron band structure of Na overlayers on Al(111). Physical Review B 36 (2), 1276–1279 (1987).

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publisher-version

Journal Article

Kuhlenbeck, H., H.B. Saalfeld, M. Neumann, H.-J. Freund and E.W. Plummer: A Direct Observation of the Two-Dimensional π-d Bands for Adsorbed CO. Applied Physics A 44 (1), 83–86 (1987).

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Journal Article

Máca, F. and M. Scheffler: A new version of the program for the calculation of the Green's function for a crystal surface or interface. Comput. Phys. Comm. 47, 349–350 (1987).

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Journal Article (8621)