Theoretical Atomic-scale Physics

  1. 1998
  2. Published

    Crystal-Structure Contribution to the Solid Solubility in Transition Metal Alloys. / Ruban, Andrei; Skriver, Hans Lomholt; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 80, No. 6, 1998, p. 1240-1243.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  3. Published

    Effect of Strain on the Reactivity of Metal Surfaces. / Mavrikakis, Manos; Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 81, No. 13, 1998, p. 2819-2822.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  4. Published

    Kinetic-energy functionals studied by surface calculations. / Vitos, Levente; Skriver, Hans Lomholt; Kollár, J.

    In: Physical Review B Condensed Matter, Vol. 57, No. 19, 1998, p. 12611-12615.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  5. Published

    Mechanical deformation of atomic-scale metallic contacts: Structure and mechanisms. / Sørensen, Mads Reinholdt; Brandbyge, Mads; Jacobsen, Karsten Wedel.

    In: Physical Review B Condensed Matter, Vol. 57, No. 6, 1998, p. 3283-3294.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  6. Published

    Ordered Phases in Cu2NiZn: A First-Principles Monte Carlo Study. / Simak, S.I.; Ruban, Andrei; Abrikosov, I.A.; Skriver, Hans Lomholt; Johansson, B.

    In: Physical Review Letters, Vol. 81, No. 1, 1998, p. 188-191.

    Publication: Research - peer-reviewJournal article – Annual report year: 1998

  7. 1997
  8. Published

    Ab initio calculations of partial molar properties in the single-site approximation. / Ruban, Andrei; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 55, No. 14, 1997, p. 8801-8807.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  9. Published

    Ab initio full charge-density study of the atomic volume of α-phase Fr, Ra, Ac, Th, Pa, U, Np, and Pu. / Vitos, Levente; Kollár, J.; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 55, No. 8, 1997, p. 4947-4952.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  10. Published

    Adsorbate Reorganization at Steps: NO on Pd(211). / Hammer, Bjørk; Nørskov, Jens Kehlet.

    In: Physical Review Letters, Vol. 79, No. 22, 1997, p. 4441-4444.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  11. Published

    Anomalous atomic volume of alpha-Pu. / Kollar, J.; Vitos, Levente; Skriver, Hans Lomholt.

    In: Physical Review B Condensed Matter, Vol. 55, No. 23, 1997, p. 15353-15355.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

  12. Published

    Atomistic Determination of Cross-Slip Pathway and Energetics. / Rasmussen, Torben; Jacobsen, Karsten Wedel; Leffers, Torben; Pedersen, Ole Bøcker; Srinivasan, S.G.; Jonsson, Hannes.

    In: Physical Review Letters, Vol. 79, No. 19, 1997, p. 3676-2679.

    Publication: Research - peer-reviewJournal article – Annual report year: 1997

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