Refereed journals contributions 2006
Erratum:Doping and disorder in the Co2MnAl and Co2MnGa half-metallic Heusler alloys
Physical review / B 74(17), 172412 (2006) [10.1103/PhysRevB.74.172412]
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Density functional calculations of ATP systems II: ATP hydrolysis at the active site of actin
The journal of physical chemistry <Washington, DC> / B 110, 8121 - 8129 (2006) [10.1021/jp054921d]
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Density functional calculations of ATP systems I: Crystalline ATP hydrates and related molecules
The journal of physical chemistry <Washington, DC> / B 110, 8110 - 8120 (2006) [10.1021/jp054920l]
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Electronic properties of single-walled carbon nanotubes inside cyclic supermolecules
The journal of physical chemistry <Washington, DC> / B 110, 5186 - 5190 (2006) [10.1021/jp054896b]
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Density functional study of gold atoms and clusters on a graphite (0001) surface with defects
Physical review / B 74(16), 165404 (2006) [10.1103/PhysRevB.74.165404]
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Spin-resolved two-photon photoemission study of the surface resonance state on Co/Cu(001)
Physical review / B 74(19), 195416 (2006) [10.1103/PhysRevB.74.195416]
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Spin-resolved two-photon photoemission study of the surface resonance state on Co/Cu(001)
Virtual journal of nanoscale science & technology 14, 22 (2006)
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Relaxation effects on the magnetism of decorated step edges: Co/Pt(664)
Physical review / B 73(10), 104427 (2006) [10.1103/PhysRevB.73.104427]
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First-principles investigation of Co wires at Pt(111) step-edges
Surface science 600, 4301 - 4304 (2006) [10.1016/j.susc.2006.01.157]
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The Rashba-effect at metallic surfaces
Surface science 600, 3888 - 3891 (2006) [10.1016/j.susc.2006.01.098]
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Atomic-scale sharpening of silicon tips in non-contact atomic force microscopy
Physical review letters 96, 016101 (2006) [10.1103/PhysRevLett.96.016101]
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First-principles study of the atomic-scale structure of clean silicon tips in dynamic force microscopy
Physical review / B 74(16), 165318 (2006) [10.1103/PhysRevB.74.165318]
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Half-Metallic Ferromagnetism Induced by Dynamic Electron Correlations in VAs
Physical review letters 96, 197203 (2006) [10.1103/PhysRevLett.96.197203]
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All-electron first-principles investigations of the energetics of vicinal Cu surfaces
Physical review / B 73(12), 125402 (2006) [10.1103/PhysRevB.73.125402]
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All-electron first-principles investigations of the energetics of vicinal Cu surfaces
Virtual journal of nanoscale science & technology 13, 11 (2006)
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Linear scaling of the interlayer relaxations of the vicinal Cu(p,p,p-2) surfaces with the number of atom-rows in the terraces
Surface science 600, 3008 - 3014 (2006) [10.1016/j.susc.2006.05.019]
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Validity of the Franck-Condon principle in the optical spectroscopy: optical conductivity of the Fröhlich polaron
Physical review letters 96, 136405 (2006) [10.1103/PhysRevLett.96.136405]
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Direct observation of spectroscopic inhomogeneities on La0.7Sr0.3MnO3 thin films by scanning tunneling spectroscopy
Journal of physics / Condensed matter 18, 8195 - 8204 (2006) [10.1088/0953-8984/18/35/007]
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New Horizons for the Realistic Description of Materials with Strong Correlations
Innovatives Supercomputing in Deutschland 4, 16 (2006)
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Elimination of the linearization error in GW calculations based on the linearized augmented-plane-wave method
Physical review / B 74(4), 045104 (2006) [10.1103/PhysRevB.74.045104]
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Electronic structure and Slater-Pauling behaviour in half-metallic Heusler alloys calculated from first principles
Journal of physics / D 39, 765 - 775 (2006) [10.1088/0022-3727/39/5/S01]
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Defects in CrAs and related compounds as a route to half-metallic ferrimagnetism
Physical review / B 74(14), 140408 (2006) [10.1103/PhysRevB.74.140408]
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Rashba effect in InGaAs/InP parallel quantum wires
Applied physics letters 88, 032102 (2006) [10.1063/1.2165279]
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Quasiparticle Corrections to the Electronic Properties of Anion Vacancies at GaAs(110) and InP(110)
Physical review letters 97, 226401 (2006) [10.1103/PhysRevLett.97.226401]
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Role of Spin-Orbit Coupling and Hybridization Effects in the Electronic Structure of Ultrathin Bi Films
Physical review letters 97, 146803 (2006) [10.1103/PhysRevLett.97.146803]
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Role of spin-orbit coupling and hybridization effects in the electronic structure of ultrathin Bi films
Virtual journal of nanoscale science & technology 14, 16 (2006)
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Impurity-Vacancy Complexes in Si and Ge
Hyperfine interactions 158, 37 - 40 (2006) [10.1007/s10751-005-9005-7]
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Electronic structure of SrVO3(001) surfaces: a local-density approximation plus dynamical mean-field theory calculation
Physical review / B 73(24), 245421 (2006) [10.1103/PhysRevB.73.245421]
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Scanning tunnelling microscopy of surfaces of half-metals: an ab-initio study on NiMnSb(001)
Journal of physics / D 39, 797 - 802 (2006) [10.1088/0022-3727/39/5/S05]
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Thermal Collapse of Spin Polarization in Half-Metallic Ferromagnets
Physical review letters 97, (2006) [10.1103/PhysRevLett.97.026404]
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Non-Fermi-liquid phases in the two-band Hubbard model: Finite-temperature exact diagonalization study of Hund's rule coupling
The European physical journal / B 51, 523 (2006) [10.1140/epjb/e2006-00248-0]
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Surface-state scattering by adatoms on noble metals: Ab initio calculations using the Korringa-Kohn-Rostoker Green function method
Physical review / B 73(19), 195421 (2006) [10.1103/PhysRevB.73.195421]
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Surface-state scattering by adatoms on noble metals: Ab initio calculations using the Korringa-Kohn-Rostoker Green function method
Virtual journal of nanoscale science & technology 13, 22 (2006)
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Ballistic transport in one-dimensional loops with Rashba and Dresselhaus spin-orbit coupling
Physical review / B 73(15), 155328 (2006) [10.1103/PhysRevB.73.155328]
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Fe clusters on Ni and Cu: size and shape dependence of the spin moment
Applied physics / A 82, 103 - 107 (2006) [10.1007/s00339-005-3340-z]
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Giant Magnetocrystalline Anisotropies of 4d Transition-Metal Monowires
Physical review letters 96, 147201 (2006) [10.1103/PhysRevLett.96.147201]
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Magnetic Anisotropy Energies of Metal-Benzene Sandwiches
International Journal of Quantum Chemistry 106, 3208 - 3213 (2006) [10.1002/qua.21139]
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Giant magneto-crystalline anisotropies of 4d transition-metal monowires
Virtual journal of nanoscale science & technology 13, 16 (2006)
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Probing Quasiparticle States Bound by Disparate Periodic Potentials
Physical review letters 97, 206802 (2006) [10.1103/PhysRevLett.97.206802]
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Probing quasiparticle states bound by disparate periodic potentials
Virtual journal of nanoscale science & technology 14, 22 (2006)
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Spin-polarized field emission from Ni(001) and Ni(111) surfaces
Physical review / B 73(23), 235424 (2006) [10.1103/PhysRevB.73.235424]
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Phase separation and dilution in implanted Mn_xGe_(1-x)alloys
Applied physics letters 88, 061907 (2006) [10.1063/1.2171485]
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Phase separation and dilution in implanted MnxGe1-x alloys
Virtual journal of nanoscale science & technology 13, 7 (2006)
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First-principles study of spin-orbit effects and NMR in Sr2RuO4
Physical review / B 74(3), 035115 (2006) [10.1103/PhysRevB.74.035115]
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Magnetization dynamics in dysprosium orthoferrites via the inverse Faraday effect
Physical review / B 74(13), 134430 (2006) [10.1103/PhysRevB.74.134430]
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Coherent control of magnetization via inverse Faraday effect
Journal of physics / Condensed matter 18, 7063 - 7078 (2006) [10.1088/0953-8984/18/31/002]
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Rubber friction: role of the flash temperature
Journal of physics / Condensed matter 18, 7789 - 7823 (2006) [10.1088/0953-8984/18/32/025]
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Chemical contribution to surface-enhanced Raman scattering
Physical review letters 96, 207401 (2006) [10.1103/PhysRevLett.96.207401]
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Persson, Zhao, and Zhang Reply
Physical review letters 97, 199702 (2006) [10.1103/PhysRevLett.97.199702]
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Rubber friction on smooth surfaces
The European physical journal / E 21, 69 - 80 (2006) [10.1140/epje/i2006-10045-9]
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Contact mechanics for randomly rough surfaces
Surface science reports 61, 201 - 227 (2006) [10.1016/j.surfrep.2006.04.001]
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First-principles stabilization of an unconventional collinear magnetic ordering in distorted manganites
Physical review / B 74(9), 094402 (2006) [10.1103/PhysRevB.74.094402]
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Electronic structure and exchange constants in magnetic semiconductor digital alloys: chemical and band-gap effects
Physica status solidi / A 203, 2738 - 2745 (2006) [10.1002/pssa.200669574]
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Exchange parameters in Fe-based molecular magnets
Computational materials science 36, 91 - 95 (2006) [10.1016/j.commatsci.2004.11.011]
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The FeIII[FeIII(L1)2]3 star-type single-molecule magnet
Dalton transactions 2865 - 2874 (2006) [10.1039/b515980f]
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Electron-Phonon Interaction and Antiferromagnetic Correlations
Physical review letters 97, 046404 (2006) [10.1103/PhysRevLett.97.046404]
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Static versus dynamical mean-field theory of Mott antiferromagnets
Physical review / B 73(20), 205121 (2006) [10.1103/PhysRevB.73.205121]
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Magnetic phase diagram of the semi-Heusler alloys from first principles
Applied physics letters 89, 222508 (2006) [10.1063/1.2398892]
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Structural determination of the Bi(110) semimetal surface by LEED analysis and ab initio calculations
Physical review / B 74(24), 245406 (2006) [10.1103/PhysRevB.74.245406]
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Switching the electrical resistance of individual dislocations in single-crystalline SrTiO3
Nature materials 5, 312 (2006) [10.1038/nmat1614]
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Switching the electrical resistance of individual dislocations in single crystalline SrTiO3
Virtual journal of nanoscale science & technology 14, 2 (2006)
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Electronic structure study by means of x-ray spectroscopy and theoretical calculations of the "ferric star" single molecule magnet
The journal of chemical physics 124, 044503 (2006) [10.1063/1.2155340]
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Impact of molecular structure on the lubricant squeeze-out between curved surfaces with long range elasticity
The journal of chemical physics 125, 014704 (2006) [10.1063/1.2210008]
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Role of surface roughness in superlubricity
Journal of physics / Condensed matter 18, 4143 - 4160 (2006) [10.1088/0953-8984/18/17/004]
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Enhancement of noncontact friction between closely spaced bodies by two-dimensional systems
Physical review / B 73(16), 165423 (2006) [10.1103/PhysRevB.73.165423]
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Quantum field theory of van der Waals friction
Physical review / B 74(20), 205413 (2006) [10.1103/PhysRevB.74.205413]
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Observation of a Complex Nanoscale Magnetic Structure in a Hexagonal Fe Monolayer
Physical review letters 96, 167203 (2006) [10.1103/PhysRevLett.96.167203]
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Surface electronic structures of La(0001) and Lu(0001)
Physical review / B 73(11), 115403 (2006) [10.1103/PhysRevB.73.115403]
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Unravelling the interplay of local structure and physical properties in phase-change materials
Nature materials 5, 56 (2006) [10.1038/nmat1539]
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Influence of surface roughness on superhydrophobicity
Virtual journal of nanoscale science & technology 14, 13 (2006)
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Influence of surface roughness on superhydrophobicity
Physical review letters 97, 116103 (2006) [10.1103/PhysRevLett.97.116103]
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A multiscale molecular dynamics approach to contact mechanics
The European physical journal / E 19, 47 - 58 (2006) [10.1140/epje/e2006-00004-9]
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How do liquids confined at the nanoscale influence adhesion?
Journal of physics / Condensed matter 18, 11521 - 11530 (2006) [10.1088/0953-8984/18/50/008]
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