Publications of Matthias Scheffler

Journal Article

X.-G. Wang, A. Chaka and M. Scheffler: Effect of the environment on alpha-Al_2O_3 (0001) surface structures. Physical Review Letters 84 (16), 3650–3653 (2000).

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Journal Article

M. Petersen, F. Wagner, L. Hufnagel, M. Scheffler, P. Blaha and K. Schwarz: Improving the efficiency of FP-LAPW calculations. Computer Physics Communications 126 (3), 294–309 (2000).

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Journal Article

A. Groß and M. Scheffler: Dynamics of hydrogen dissociation at the sulfur-covered Pd(100) surface. Physical Review B 61 (12), 8425–8432 (2000).

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Journal Article

R. Pentcheva and M. Scheffler: Stable and metastable structures of Co on Cu(001): An ab initio study. Physical Review B 61 (3), 2211–2220 (2000).

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Journal Article

V.P. LaBella, D.W. Bullock, Z. Ding, C. Emery, P.M. Thibado, P. Kratzer and M. Scheffler: A novel imaging mechanism to determine the atomic structure of the GaAs(001)-(2x4) surface. Omicron Newsletter 4, 4–5 (2000).

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Journal Article

L.G. Wang, P. Kratzer, N. Moll and M. Scheffler: Size, shape, and stability of InAs quantum dots on the GaAs(001) substrate. Physical Review B 62, 1897–1904 (2000).

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Journal Article

Q.K.K. Liu, N. Moll, M. Scheffler and E. Pehlke: Equilibrium shapes and energies of coherent strained InP islands. Physical Review B 60 (24), 17008–17015 (1999).

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Journal Article

F. Nouvertné, U. May, M. Bamming, A. Rampe, U. Korte, G. Güntherodt, R. Pentcheva and M. Scheffler: Atomic exchange processes and bimodal initial growth of Co/Cu(001). Physical Review B 60 (20), 14382–14386 (1999).

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Journal Article

C. Stampfl, H.J. Kreuzer, S.H. Payne and M. Scheffler: Challenges in predictive calculations of processes at surfaces: surface thermodynamics and catalytic reactions. Applied Physics A 69 (5), 471–480 (1999).

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Journal Article

V.P. LaBella, H. Yang, D.W. Bullock, P.M. Thibado, P. Kratzer and M. Scheffler: Atomic structure of the GaAs(001)-(2x4) surface resolved using scanning tunneling microscopy and first-principles theory. Physical Review Letters 83 (15), 2989–2992 (1999).

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Journal Article

C. Stampfl, H.J. Kreuzer, S.H. Payne, H. Pfnür and M. Scheffler: First-principles theory of surface thermodynamics and kinetics. Physical Review Letters 83 (15), 2993–2996 (1999).

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Journal Article

K. Jacobi, J. Platen, C. Setzer, J. Márquez, L. Geelhaar, C. Meyne, W. Richter, A. Kley, P. Ruggerone and M. Scheffler: Morphology, surface core-level shifts and surface energy of the faceted GaAs(112)A and (112)B surfaces. Surface Science 439 (1-3), 59–72 (1999).

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Journal Article

A. Eichler, J. Hafner, A. Groß and M. Scheffler: Rotational effects in the dissociation of H_2 on metal surfaces studied by ab initio quantum-dynamics calculations. Chemical Physics Letters 311 (1-2), 1–7 (1999).

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Journal Article

M. Bonn, S. Funk, C. Hess, D.N. Denzler, C. Stampfl, M. Scheffler, M. Wolf and G. Ertl: Phonon- Versus Electron-Mediated Desorption and Oxidation of CO on Ru(0001). Science 285 (5430), 1042–1045 (1999).

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Journal Article

M. Bonn, S. Funk, C. Hess, D.N. Denzler, C. Stampfl, M. Scheffler, M. Wolf and G. Ertl: Phonon- versus electron-mediated desorption and oxidation of CO on Ru(0001). Science 285 (5430), 1042–1045 (1999).

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Journal Article

C. Stampfl and M. Scheffler: Density functional theory study of the catalytic oxidation of CO over transition metal surfaces. Surface Science 433-435, 119–126 (1999).

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Journal Article

M.V. Ganduglia-Pirovano and M. Scheffler: Structural and electronic properties of chemisorbed oxygen on Rh(111). Physical Review B 59 (23), 15533–15543 (1999).

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Journal Article

P. Kratzer, C.G. Morgan and M. Scheffler: Model for nucleation in GaAs homoepitaxy derived from first principles. Physical Review B 59 (23), 15246–15252 (1999).

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Journal Article

C.G. Morgan, P. Kratzer and M. Scheffler: Arsenic dimer dynamics during MBE growth: Theoretical evidence for a novel chemisorption state of As_2 molecules on GaAs surfaces. Physical Review Letters 82 (24), 4886–4889 (1999).

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