Publications of Matthias Scheffler
All genres
Journal Article (594)
261.
Journal Article
M. Fuchs, M. Scheffler, and : Exact-exchange calculations of the electronic structure of AlN, GaN and InN. Computer Physics Communications 169 (1-3), 28–31 (2005).
, , 262.
Journal Article
M. Scheffler: Jahn-Teller stabilization of a "polar" metal oxide surface: Fe3O4(001). Physical Review Letters 94 (12), 126101 (2005).
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Journal Article
Ratsch, C., A. Fielicke, , J. Behler, G.von Helden, G. Meijer and M. Scheffler: Structure determination of small vanadium clusters by density-functional theory in comparison with experimental far-infrared spectra. The Journal of Chemical Physics 122, 124302–1-124302–15 (2005).
264.
Journal Article
Hashemifar, S.J., P. Kratzer and M. Scheffler: Preserving the half-metallicity at the Heusler alloy Co2MnSi(001) surface: A density functional theory study. Physical Review Letters 94 (9), 096402 (2005).
265.
Journal Article
Behler, J., , S. Lorenz, K. Reuter and M. Scheffler: Dissociation of O2 at Al(111): The role of spin selection rules. Physical Review Letters 94 (3), 036104 (2005).
266.
Journal Article
Sun, Q., K. Reuter and M. Scheffler: Hydrogen adsorption at RuO2(110): Density-functional calculations. Physical Review B 70, 235402–1-235402–12 (2004).
267.
Journal Article
Yu, D. and M. Scheffler: First-principles study of low-index surfaces of lead. Physical Review B 70, 155417–1-155417–8 (2004).
268.
Journal Article
Penev, E., P. Kratzer and M. Scheffler: Atomic structure of the GaAs(001)-c(4 x 4) surface: first-principles evidence for diversity of heterodimer motifs. Physical Review Letters 93 (14), 146102–1-146102–4 (2004).
269.
Journal Article
Reuter, K., and M. Scheffler: The steady state of heterogeneous catalysis, studied by first-principles statistical mechanics. Physical Review Letters 93, 116105–1-116105–4 (2004).
270.
Journal Article
Todorova, M., K. Reuter and M. Scheffler: Oxygen overlayers on Pd(111) studied by density functional theory. The Journal of Physical Chemistry B 108 (38), 14477–14483 (2004).
271.
Journal Article
C. Ratsch, J. Behler, M. Scheffler, G.von Helden and G. Meijer: Structure Determination of Isolated Metal Clusters via Far-Infrared Spectroscopy. Physical Review Letters 93 (2), 023401 (2004).
, , 272.
Journal Article
Wu, H., M. Hortamani, P. Kratzer and M. Scheffler: First-principles study of ferromagnetism in epitaxial Si-Mn thin films on Si(001). Physical Review Letters 92, 23 (2004).
273.
Journal Article
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274.
Journal Article
Ireta, J., J. Neugebauer and M. Scheffler: On the accuracy of DFT for describing hydrogen bonds: Dependence on the bond directionality. The Journal of Physical Chemistry A 108 (26), 5692–5698 (2004).
275.
Journal Article
M. Scheffler and : Hallmark of perfect graphene. Physical Review Letters 92, 225502–1-225502–4 (2004).
, 276.
Journal Article
Lee, S.M., S.-H. Lee and M. Scheffler: Adsorption and diffusion of a Cl adatom on the GaAs(001)-c(8x2) ζ surface. Physical Review B 69, 125317–1-125317–6 (2004).
277.
Journal Article
Rogal, J., K. Reuter and M. Scheffler: Thermodynamic stability of PdO surfaces. Physical Review B 69 (7), 075421 (2004).
278.
Journal Article
Reuter, K. and M. Scheffler: Oxide formation at the surface of late 4d transition metals: insights from first-principles atomistic thermodynamics. Applied Physics A 78, 793–798 (2004).
279.
Journal Article
M. Todorova, J. Rogal, K. Reuter and M. Scheffler: Kinetic hindrance during the initial oxidation of Pd(100) at ambient pressures. Physical Review Letters 92, 046101–1-046101–4 (2004).
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Journal Article
Lorenz, S., and M. Scheffler: Representing high-dimensional potential-energy surfaces for reactions at surfaces by neural networks. Chemical Physics Letters 395 (4-6), 210–215 (2004).