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Theoretical Physics

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  • Publications 2005
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  • Publications 2005
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  • Publications 2005

    Anionogenic ferromagnets
    Attema J.J., de Wijs G.A., Blake G.R., de Groot R.A.
    J. Am. Chem. Soc. 127 (46), 16325-16328 (2005)

    The role of the hydrogen bonding network for the shear modulus of PIPD
    Hageman J.C.L., de Wijs G.A., de Groot R.A., Klop E.A.
    Polymer 46 (21), 9144-9154 (2005)

    Interrelation of work function and surface stability: The case of BaAl4
    Uijttewaal M.A., de Wijs G.A., de Groot R.A., Coehoorn R., van Elsbergen V., Weijtens C.H.L.
    Chem. Mater. (15), 3879-3882 (2005)

    Tunable spin transport in CrAs: Role of correlation effects
    Chioncel L., Katsnelson M.I., de Wijs G.A., de Groot R.A., Lichtenstein A.I.
    Phys. Rev. B 71 (8), 085111 (2005)

    Ab initio study of Mg(AlH4)(2)
    van Setten M.J., de Wijs G.A., Popa V.A., Brocks G.
    Phys. Rev. B 72 (7), 073107 AUG (2005)

    Geometry of {001} surfaces of spinel (MgAl2O4): First-principles simulations and experimental measurements
    van der Laag N.J., Fang C.M., de With G, de Wijs G.A., Brongersma H.H.
    J. Am. Ceramic soc. 88 (6), 1544-1548 JUN (2005)

    Quantum mechanics calculations on the diastereomeric salts of cyclic phosphoric acids with ephedrine
    Schaftenaar G., de Wijs G.A., Sanchez-Portal D., Vlieg E.
    J. Mol. Struc. - Theochem 717 (1-3), 205-214 (2005)

    Correlated adatom trimer on a metal surface: A continuous-time quantum Monte Carlo study
    Savkin V.V., Rubtsov A.N., Katsnelson M.I., Lichtenstein A.I.
    Phys. Rev. Lett. 94, 026402 (2005)

    Origin of magnetic frustrations in Fe-Ni Invar alloys
    Ruban A.V., Katsnelson M.I., Olovsson W., Simak S.I., Abrikosov I.A.
    Phys. Rev. B 71, 054402 (2005)

    Thermodynamics of a two-dimensional Heisenberg ferromagnet with dipolar interaction
    Grechnev A., Irkhin V.Yu., Katsnelson M.I., Eriksson O.
    Phys. Rev. B 71, 024427 (2005)

    Tunable spin transport in CrAs: Role of correlation effects
    Chioncel L., Katsnelson M.I., de Wijs G.A., de Groot R.A., Lichtenstein A.I.
    Phys. Rev. B 71 (8), 085111 (2005)

    Impurity-kink interaction in the two-dimensional Frenkel-Kontorova model
    Gornostyrev Yu.N., Katsnelson M.I., Stroev A.Y., Trefilov A.V.
    Phys. Rev. B 71, 094105 (2005)

    Non-quasiparticle states in the core level spectra of ferromagnetic semiconductors and half-metallic ferromagnets
    Irkhin V.Yu., Katsnelson M.I.
    Eur. Phys. J. B 43, 479 (2005)

    Ab initio theory of dynamical core-hole screening in graphite from x-ray absorption spectra
    Wessely O., Katsnelson M.I., Eriksson O.
    Phys. Rev. Lett. 94, 167401 (2005)

    Sum rules for X-ray magnetic circular dichroism spectra in strongly correlated ferromagnets
    Irkhin V.Yu., Katsnelson M.I.
    Eur. Phys. J. B 45, 1 (2005)

    Multiple-scattering formalism for correlated systems: A KKR-DMFT approach
    Minár J., Chioncel L., Perlov A., Ebert H., Katsnelson M.I., Lichtenstein A.I.
    Phys. Rev. B 72, 045125 (2005)

    Polar magneto-optical Kerr effect for low-symmetric ferromagnets
    Rathgen H., Katsnelson M.I., Eriksson O., Zwicknagl G.
    Phys. Rev. B 71, 014451 (2005)

    Electronic structure and magnetic properties of solids
    Savrasov S.Y., Toropova A., Katsnelson M.I., Lichtenstein A.I., Antropov V., Kotliar G.
    Z. Kristallogr. 220, 473 (2005)

    Spin ans orbital ferromagnetism in strongly correlated itinerant-electron systems
    Irkhin V.Yu., Katsnelson M.I.
    Phys. Rev. B 72, 054421 (2005)

    Surface electronic structure of Cr(001): Experiment and theory
    Kolesnichenko O.Yu., Heijnen G.M.M., Zhuravlev A.K., de Kort R., Katsnelson M.I., Lichtenstein A.I.
    van Kempen H. Phys. Rev. B 72, 085456 (2005)

    Decoherence by a chaotic many-spin bath
    Lages J., Dobrovitski V.V., Katsnelson M.I., de Raedt H.A., Harmon B.N.
    Phys. Rev. E 72, 026225 (2005)

    Probing of the Kondo peak by the impurity charge measurement
    Katsnelson M.I. Kogan E.
    Phys. Rev. B 72, 104406 (2005)

    Correlation effects in electronic structure of actinide monochalcogenides
    Pourovskii L.V., Katsnelson M.I., Lichtenstein A.I.
    Phys. Rev. B 72, 115106 (2005)

    Quantum entanglement dynamics and decoherence wave in spin chains at finite temperatures
    Hamieh S.D., Katsnelson M.I.
    Phys. Rev. A 72, 032316 (2005)

    Electron self-trapping and the fluctuation density-of-states tail at the critical point
    Auslender M.I., Katsnelson M.I.
    Phys. Rev. B 72, 113107 (2005)

    Experimental observation and theoretical description of the pure Fano effect in the valence-band photoemission of ferromagnets
    J. Minár J., Ebert H., De Nadaď C., Brookes N.B., Venturini F. , Ghiringhelli G., Chioncel L., Katsnelson M.I., Lichtenstein A.I.
    Phys. Rev. Lett. 95, 166401 (2005)

    Electronic structure and spectroscopic properties of thulium monochalcogenides
    Lebčgue S., Santi G., Svane A., Bengone O., Katsnelson M.I., Lichtenstein A.I., Eriksson O. Phys. Rev. B 72, 245102 (2005)

    Two-dimensional gas of massless Dirac fermions in graphene
    Novoselov K.S., Geim A.K, Morozov S.V., Jiang D., Katsnelson M.I., Grigorieva I.V., Dubonos S.V., Firsov A.A.
    Nature 438, 197 (2005)

    Nonlinear dynamics and surface diffusion of diatomic molecules
    Fusco C., Fasolino A.
    Chem. Phys. Chem. 6 (9), 1749-1752 (2005)

    Velocity dependence of atomic-scale friction: A comparative study of the one- and two-dimensional Tomlinson model
    Fusco C., Fasolino A.
    Phys. Rev. B, 71(4), 045413/1-045413/9 (2005)

    Liquid Carbon: Structure near the Freezing Line
    Ghiringhelli L.M., Los J.H., Meijer E.J., Fasolino A., Frenkel D.
    J. Phys. - Condensed matter, 17, S3619 (2005)

    Modeling the Phase Diagram of Carbon
    Ghiringhelli L.M., Los J.H., Meijer E.J., Fasolino A., Frenkel D.
    Phys. Rev. Lett. 94 (14), 145701/1-145701/4 (2005)

    Transition to strictly solitary motion in the Burridge-Knopoff model of multicontact friction
    Huisman B.A.H., Fasolino A.
    Phys. Rev. E 72 (1-2), 016107/1-016107/6 (2005)

    Lipid transfer proteins enhance cell wall extension in tobacco
    Nieuwland J., Feron R., Huisman B.A.H., Fasolino A., Hilbers C.W., Derksen J., Mariani C.
    Plant Cell, 17 (7), 2009-2019, (2005)

    Mechanisms for correlated surface diffusion of weakly bonded dimers
    Pijper E., Fasolino A.
    Phys. Rev. B, 72(16), 165328/1-165328/5 (2005)

    Improved long range reactive bond order potential for carbon (LCBOPII), Part I: Construction
    Los J.H., Ghiringhelli L.M., Meijer E.J., Fasolino A.
    Phys. Rev. B 72, 214102 (2005)

    Improved long range reactive bond order potential for carbon (LCBOPII), Part II: Molecular simulation of liquid carbon
    Ghiringhelli L.M., Los J.H., Fasolino A., Meijer E.J.
    Phys. Rev. B 72, 214103 (2005)