Publications of Matthias Scheffler

Journal Article

Gonze, X. and Matthias Scheffler: Exchange and correlation kernels at the resonance frequency: Implications for excitation energies in density-functional theory.

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Journal Article

Groß, Axel, Matthias Scheffler, M.J. Mehl and D.A. Papaconstantopoulos: Ab initio based tight-binding Hamiltonian for the dissociation of molecules at surfaces.

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Journal Article

Harrison, N.M., Xiao-Gang Wang, J. Muscat and Matthias Scheffler: The influence of soft vibrational modes on our understanding of oxide surface structure.

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Journal Article

Jacobi, Karl, J. Platen, Carsten Setzer, J. Márquez, Lutz Geelhaar, C. Meyne, W. Richter, Alexander Kley, Paolo Ruggerone and Matthias Scheffler: Morphology, surface core-level shifts and surface energy of the faceted GaAs(112)A and (112)B surfaces.

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Kim, H.W., J.R. Ahn, J.W. Chung, B.D. Yu and Matthias Scheffler: Alkali metal (Li, K) induced reconstructions of the W(001) surface.

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Journal Article

Kratzer, Peter, C.G. Morgan and Matthias Scheffler: Model for nucleation in GaAs homoepitaxy derived from first principles.

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Journal Article

LaBella, V.P., H. Yang, D.W. Bullock, P.M. Thibado, Peter Kratzer and Matthias Scheffler: Atomic structure of the GaAs(001)-(2x4) surface resolved using scanning tunneling microscopy and first-principles theory.

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Liu, Q.K.K., Nikolaj Moll, Matthias Scheffler and Eckhard Pehlke: Equilibrium shapes and energies of coherent strained InP islands.

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Morgan, C.G., Peter Kratzer and Matthias Scheffler: Arsenic dimer dynamics during MBE growth: Theoretical evidence for a novel chemisorption state of As_2 molecules on GaAs surfaces.

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Journal Article

Nouvertné, F., U. May, M. Bamming, A. Rampe, U. Korte, G. Güntherodt, Rossitza Pentcheva and Matthias Scheffler: Atomic exchange processes and bimodal initial growth of Co/Cu(001).

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Journal Article

Penev, Evgeni, Peter Kratzer and Matthias Scheffler: Effect of the cluster size in modeling the H_2 desorption and dissociative adsorption on Si(001).

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Journal Article

Platen, J., Alexander Kley, Carsten Setzer, Karl Jacobi, Paolo Ruggerone and Matthias Scheffler: The importance of high-index surfaces for the morphology of GaAs quantum dots.

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Journal Article

Stampfl, Catherine, H.J. Kreuzer, S.H. Payne, H. Pfnür and Matthias Scheffler: First-principles theory of surface thermodynamics and kinetics.

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Journal Article

Stampfl, Catherine, H.J. Kreuzer, S.H. Payne and Matthias Scheffler: Challenges in predictive calculations of processes at surfaces: surface thermodynamics and catalytic reactions.

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Journal Article

Stampfl, Catherine and Matthias Scheffler: Density functional theory study of the catalytic oxidation of CO over transition metal surfaces.

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Journal Article

Wang, L.G., Peter Kratzer, Matthias Scheffler and Nikolaj Moll: Formation and stability of self-assembled coherent islands in highly mismatched heteroepitaxy.

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Journal Article

Xie, Jianjun, Stefano de Gironcoli, Stefano Baroni and Matthias Scheffler: Temperature dependent surface relaxations of Ag(111).

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