Publications

Showing entries 241 - 260 out of 284

2004

Gustafson J, Mikkelsen A, Borg M, Lundgren E, Koehler L, Kresse G et al. Self-limited growth of a thin oxide layer on Rh(111). Physical Review Letters. 2004;92(12):126102. doi: 10.1103/PhysRevLett.92.126102
Schoiswohl J, Surnev SL, Sock M, Ramsey MG, Kresse G, Netzer FP. Thermodynamically controlled self-assembly of two-dimensional oxide nanostructures. Angewandte Chemie (International Edition). 2004;43(41):5546-5549. doi: 10.1002/anie.200460150
Kresse G, Surnev SL, Schoiswohl J, Netzer FP. V2O3(0 0 0 1) surface terminations: a density functional study. Surface Science. 2004;555(1-3):118-134. doi: 10.1016/j.susc.2004.02.009
Schoiswohl J, Sock M, Surnev SL, Ramsey MG, Netzer FP, Kresse G et al. V2O3(0 0 0 1) surface terminations: from oxygen- to vanadium-rich. Surface Science. 2004;555(1-3):101-117. doi: 10.1016/j.susc.2003.12.053

2003

Sambi M, Petukhov M, Domenichini B, Rizzi GA, Surnev SL, Kresse G et al. A photoelectron diffraction study of the surface-V2O3 (2 × 2) layer on Pd(1 1 1). Surface Science. 2003;529(1-2):234-238. doi: 10.1016/S0039-6028(03)00070-0
Dubay O, Kresse G. Accurate density functional calculations for the phonon dispersion relations of graphite layer and carbon nanotubes. Physical Review B. 2003;67(3):035401. doi: 10.1103/PhysRevB.67.035401
Kresse G, Dulub O, Diebold U. Competing stabilization mechanism for the polar ZnO(0001)-Zn surface. Physical Review B. 2003;68(24):245409. doi: 10.1103/PhysRevB.68.245409
Kresse G, Bergermayer W, Podloucky R, Lundgren E, Schmid MA, Varga P. Complex surface reconstructions solved by ab initio molecular dynamics. Applied Physics A: materials science & processing. 2003;76(5):701-710. doi: 10.1007/s00339-002-2007-2
Chai JD, Stroud D, Hafner J, Kresse G. Dynamic structure factor of liquid and amorphous Ge from ab initio simulations. Physical Review B. 2003;67(10):104205. doi: 10.1103/PhysRevB.67.104205
Sambi M, Surnev SL, Kresse G, Netzer FP, Granozzi G. Estimating soft-mode frequencies of surface overlayers by means of photoelectron diffraction: The (2×2) surface-V2O 3/Pd(111). Physical Review B. 2003;68(15):155417. doi: 10.1103/PhysRevB.68.155417
Fedorov AS, Avramov PV, Ovchinnikov SG, Kresse G. Isotope velocity differentiation in thin carbon nanotubes through quantum diffusion. Europhysics Letters. 2003;63(2):254-260. doi: 10.1209/epl/i2003-00512-5
Dulub O, Diebold U, Kresse G. Novel stabilization mechanism on polar surfaces: ZnO(0001)-Zn. Physical Review Letters. 2003;90(1):016102. doi: 10.1103/PhysRevLett.90.016102
Sun G, Kürti J, Rajczy P, Kertesz M, Hafner J, Kresse G. Performance of the Vienna ab initio simulation package (VASP) in chemical applications. Journal of Molecular Structure: THEOCHEM. 2003;624(1-3):37-45. doi: 10.1016/S0166-1280(02)00733-9
Kresse G, Gil A, Sautet P. Significance of single-electron energies for the description of CO on Pt(111). Physical Review B. 2003;68(7):073401. doi: 10.1103/PhysRevB.68.073401
Gil A, Clotet A, Ricart JM, Kresse G, Garcia-Hernandez M, Rösch N et al. Site preference of CO chemisorbed on Pt(1 1 1) from density functional calculations. Surface Science. 2003;530(1-2):71-86. doi: 10.1016/S0039-6028(03)00307-8
Stierle A, Tieg C, Dosch H, Formoso V, Lundgren E, Andersen JN et al. Surface core level shift observed on NiAl(1 1 0). Surface Science. 2003;529(3). doi: 10.1016/S0039-6028(03)00329-7
Klein C, Kresse G, Surnev SL, Netzer FP, Schmid MA, Varga P. Vanadium surface oxides on Pd(111): A structural analysis. Physical Review B. 2003;68(23):235416. doi: 10.1103/PhysRevB.68.235416

2002

Kresse G. Ab initio molecular dynamics: Recent progresses and limitations. Journal of Non-Crystalline Solids. 2002;312-314:52-59. doi: 10.1016/S0022-3093(02)01649-6
Kresse G, Bergermayer W, Podloucky R. Comment on "Magnetism of the V(001) surface: Contradictory results from pseudopotential and linearized augmented plane-wave calculations". Physical Review B. 2002;66(14):0146401. doi: 10.1103/PhysRevB.66.146401
Stibor A, Kresse G, Eichler A, Hafner J. Density functional study of the adsorption of CO on Fe(1 1 0). Surface Science. 2002;507-510:99-102. doi: 10.1016/S0039-6028(02)01182-2
Showing entries 241 - 260 out of 284