2009

Lathiotakis, N. N., Helbig, N., Zacarias, A., Gross, E. K. U.:
A functional of the one-body-reduced density matrix derived from the homogeneous electron gas: Performance for finite systems
Journal of Chemical Physics 130, pp 064109/1-5 (2009)
(Reference: TH-2009-39)

Hortamani, M., Sandratskii, L., Kratzer, P., Mertig, I.:
Searching for Si-based spintronics by first principles
New Journal of Physics 11, pp 125009/1-23 (2009)
(Reference: TH-2009-38)

Weinberger, P.:
Fully relativistic ab initio description of spin-polarized STM experiments in terms of magnetic-field-dependent tunneling currents
Physical Review B 80, (6), pp 060403/1-4 (2009)
(Reference: TH-2009-36)

Ignatiev, P. A., Negulayaev, N. N., Smirnov, A. S., Niebergall, L., Saletsky, A. M., Stepanyuk, V. S.:
Magnetic ordering of nanocluster ensembles promoted by electronic substrate-mediated interaction: Ab initio and kinetic Monte Carlo studies
Physical Review B 80, pp 065408/1-7 (2009)
(Reference: TH-2009-35)

Sukhov, A., Berakdar, J.:
Steering magnetization dynamics of nanoparticles with ultrashort pulses
Physical Review B 79, (13), pp 134433/1-10 (2009)
(Reference: TH-2009-34)

Pittalis, S., Rasanen, E., Gross, E. K. U.:
Gaussian approximations for the exchange-energy functional of current-carrying states: Applications to two-dimensional systems
Physical Review A 80, (3), pp 032515/1-6 (2009)
(Reference: TH-2009-33)

Tao, K., Stepanyuk, V. S., Hergert, W., Rungger, I., Sanvito, S., Bruno, P.:
Switching a single spin on metal surfaces by a STM tip: Ab initio studies
Physical Review Letters 103, (5), pp 057202/1-4 (2009)
(Reference: TH-2009-32)

Kudrnovsky, J., Maca, F., Turek, I., Redinger, J.:
Substrate-induced antiferromagnetism of a Fe monolayer on the Ir(001) surface
Physical Review B 80, (6), pp 064405/1-8 (2009)
(Reference: TH-2009-31)

Castro, A., Rasanen, E., Rubio, A., Gross, E. K. U.:
Femtosecond laser pulse shaping for enhanced ionization
EPL 87, (5), pp 53001/p1-p6 (2009)
(Reference: TH-2009-30)

Hortamani, M., Sandratskii, L. M., Zahn, P., Mertig, I.:
Physical origin of the incommensurate spin spiral structure in Mn3Si
Journal of Applied Physics 105, (7), pp 07E506/1-3 (2009)
(Reference: TH-2009-29)

Winterlik, J., Fechner, G. H., Jenkins, C. A., Felser, C., Mühle, C., Doll, K., Jansen, M., Sandratskii, L. M., Kübler, J.:
Challenge of magnetism in strongly correlated open-shell 2p systems
Physical Review Letters 102, (1), pp 016401/1-4 (2009)
(Reference: TH-2009-28)

Maznichenko, I. V., Ernst, A., Bouhassoune, M., Henk, J., Däne, M., Lüders, M., Bruno, P., Hergert, W., Mertig, I., Szotek, Z., Temmerman, W. M.:
Structural phase transitions and fundamental band gaps of MgxZn1-xO alloys from first principles
Physical Review B 80, (14), pp 144101/1-11 (2009)
(Reference: TH-2009-27)

Mironets, O., Meyerheim, H. L., Tusche, C., Stepanyuk, V. S., Soyka, E., Zschack, P., Hong, H., Jeutter, N., Felici, R., Kirschner, J.:
X-ray study of mesoscopic relaxations in cobalt nanoislands on Cu(001)
ESRF Highlights pp 81-82 (2009)
(Reference: TH-2009-25)

Gierz, I., Suzuki, T., Frantzeskakis, E., Pons, S., Ostanin, S., Ernst, A., Henk, J., Grioni, M., Kern, K., Ast, C. R.:
Silicon surface with giant spin splitting
Physical Review Letters 103, (4), pp 046803/1-4 (2009)
(Reference: TH-2009-24)

Khalid, M., Ziese, M., Setzer, A., Esquinazi, P., Lorenz, M., Hochmuth, H., Grundmann, M., Spemann, D., Butz, T., Brauer, G., Anwand, W., Fischer, G., Adeagbo, W. A., Hergert, W., Ernst, A.:
Defect-induced magnetic order in pure ZnO films
Physical Review B 80, (3), pp 035331/1-5 (2009)
(Reference: TH-2009-23)

Moreschini, L., Bendounan, A., Bentmann, H., Assig, M., Kern, K., Reinert, F., Henk, J., Ast, C. R., Grioni, M.:
Influence of the substrate on the spin-orbit splitting in surface alloys on (111) noble-metal surfaces
Physical Review B 80, (3), pp 035438/1-6 (2009)
(Reference: TH-2009-22)

Fischer, G., Däne, M., Ernst, A., Bruno, P., Lüders, M., Szotek, Z., Temmerman, W. M., Hergert, W.:
Exchange coupling in transition metal monoxides: Electronic structure calculations
Physical Review B 80, (1), pp 014408/1-11 (2009)
(Reference: TH-2009-21)

Buczek, P., Ernst, A., Bruno, P., Sandratskii, L. M.:
Energies and lifetimes of magnons in complex ferromagnets: A first-principle study of Heusler alloys
Physical Review Letters 102, (24), pp 247206/1-4 (2009)
(Reference: TH-2009-20)

Balashov, T., Schuh, T., Takács, A. F., Ernst, A., Ostanin, S., Henk, J., Mertig, I., Bruno, P., Miyamachi, T., Suga, S., Wulfhekel, W.:
Magnetic anisotropy and magnetization dynamics of individual atoms and clusters of Fe and Co on Pt(111)
Physical Review Letters 102, (25), pp 257203/1-4 (2009)
(Reference: TH-2009-19)

Negulyaev, N. N., Stepanyuk, V. S., Niebergall, L., Bruno, P., Pivetta, M., Ternes, M., Patthey, F., Schneider, W.-D.:
Melting of two-dimensional adatom superlattices stabilized by long-range electronic interactions
Physical Review Letters 102, (24), pp 246102/1-4 (2009)
(Reference: TH-2009-18)

Brovko, O. O., Stepanyuk, V. S., Hergert, W., Bruno, P.:
Probing buried magnetic nanostrucures by spin-resolved local density of states at the surface: A density functional study
Physical Review B 79, (24), pp 245417/1-5 (2009)
(Reference: TH-2009-17)

Bose, P., Zahn, P., Henk, J., Mertig, I.:
Tailoring TMR ratios by ultrathin magnetic interlayers: A first-principles investigation of Fe/MgO/Fe
Materials Research Society Symposium Proceedings 1183, pp 77-84 (2009)
(Reference: TH-2009-16)

Mirhosseini, H., Henk, J., Ernst, A., Ostanin, S., Chiang, C.-T., Yu, A., Winkelmann, A., Kirschner, J.:
Unconventional spin topology in surface alloys with Rashba-type spin spliting
Physical Review B 79, (24), pp 245428/1-5 (2009)
(Reference: TH-2009-15)

Smirnov, A. S., Negulyaev, N. N., Hergert, W., Saletsky, A. M., Stepanyuk, V. S.:
Magnetic behavior of one- and two-dimensional nanostructures stabilized by surface-state electrons: A kinetic Monte Carlo study
New Journal of Physics 11, pp 063004/1-16 (2009)
(Reference: TH-2009-14)

Brovko, O. O., Hergert, W., Stepanyuk, V. S.:
Quantum confinement on nanoislands as a tool for tailoring exchange interaction: An ab initio approach
Physical Review B 79, (20), pp 205426/1-5 (2009)
(Reference: TH-2009-13)

Ma, X.-D., Bazhanov, D. I., Fruchart, O., Yildiz, F., Yokoyama, T., Przybylski, M., Stepanyuk, V. S., Hergert, W., Kirschner, J.:
Strain relief guided growth of atomic nanowires in a Cu3N-Cu(110) molecular network
Physical Review Letters 102, (20), pp 205503/1-4 (2009)
(Reference: TH-2009-12)

Negulyaev, N. N., Stepanyuk, V. S., Niebergall, L., Bruno, P., Auwärter, W., Pennec, Y., Jahnz, G., Barth, J. V.:
Effect of strain relaxations on heteroepitaxial metal-on-metal island nucleation and superlattice formation: Fe on Cu(111)
Physical Review B 79, (19), pp 195411/1-10 (2009)
(Reference: TH-2009-11)

Meyerheim, H. L., Tusche, C., Ernst, A., Ostanin, S., Maznichenko, I. V., Mohseni, K., Jedrecy, N., Zegenhagen, J., Roy, J., Mertig, I., Kirschner, J.:
Wurtzite-type CoO nanocrystals in ultrathin ZnCoO films
Physical Review Letters 102, (15), pp 156102/1-4 (2009)
(Reference: TH-2009-10)

Wasniowska, M., Ignatiev, P. A., Stepanyuk, V. S., Kirschner, J.:
Electronic properties of Fen on Pd(111): From single adatoms to islands
Physical Review B 79, (16), pp 165411/1-5 (2009)
(Reference: TH-2009-09)

Stepanyuk, O. V., Negulyaev, N. N., Ignatiev, P. A., Przybylski, M., Hergert, W., Saletsky, A. M., Kirschner, J.:
Intermixing-driven scenario for the growth of nanowires on (110) metal surfaces
Physical Review B 79, (15), pp 155410/1-5 (2009)
(Reference: TH-2009-08)

Heinrich, B. W., Iacovita, C., Rastei, M. V., Limot, L., Bucher, J. P., Ignatiev, P. A., Stepanyuk, V. S., Bruno, P.:
Spin structure of an atomic protrusion: Probing single atoms on cobalt nanoislands
Physical Review B 79, (11), pp 113401/1-4 (2009)
(Reference: TH-2009-07)

Maznichenko, I. V., Ostanin, S., Ernst, A., Mertig, I.:
First-principles study of manganese-stabilized hafnia
Journal of Magnetism and Magnetic Materials 321, (7), pp 913-916 (2009)
(Reference: TH-2009-06)

Sandratskii, L. M.:
First-principles study of the thermal properties of half-metallic ferromagnetic systems
Journal of Magnetism and Magnetic Materials 321, (7), pp 924-927 (2009)
(Reference: TH-2009-05)

Moreschini, L., Bendounan, A., Gierz, I., Ast, C. R., Mirhosseini, H., Höchst, H., Kern, K., Henk, J., Ernst, A., Ostanin, S., Reinert, F., Grioni, M.:
Assessing the atomic contribution to the Rashba spin-orbit splitting in surface alloys: Sb/Ag(111)
Physical Review B 79, (7), pp 075424/1-6 (2009)
(Reference: TH-2009-04)

Sukhov, A., Berakdar, J.:
Local control of ultrafast dynamics of magnetic nanoparticles
Physical Review Letters 102, (5), pp 057204/1-4 (2009)
(Reference: TH-2009-03)

Buczek, P., Ernst, A., Sandratskii, L., Bruno, P.:
The energies and life time of magnons in bluk iron and one-monolayer Fe film
Journal of Magnetism and Magnetic Materials 322, pp 1396-1398 (2009)
(Reference: TH-2010-03)

Mironets, O., Meyerheim, H. L., Tusche, C., Stepanyuk, V. S., Soyka, E., Hong, H., Zschack, P., Jeutter, N., Felici, R., Kirschner, J.:
Bond length contraction in cobalt nanoislands on Cu(001) analyzed by surface x-ray diffraction
Physical Review B 79, (3), pp 035406/1-9 (2009)
(Reference: TH-2009-02)

Däne, M., Lüders, M., Ernst, A., Ködderitzsch, D., Temmerman, W. M., Szotek, Z., Hergert, W.:
Self-interaction correction in multiple scattering theory: Application to transition metal oxides
Journal of Physics: Condensed Matter 21, (4), pp 045604/1-14 (2009)
(Reference: TH-2009-01)

Meyerheim, H. L., Tonnerre, J.-M., Sandratskii, L., Tolentino, H. C. N., Przybylski, M., Gabi, Y., Yildiz, F., Fu, X. L., Bontempi, E., Grenier, S., Kirschner, J.:
New model for magnetism in ultrathin fcc Fe on Cu(001)
Physical Review Letters 103, (26), pp 267202/1-4 (2009)

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last modified:   19.08.2010