Theory Department
Max Planck Institute of Microstructure Physics
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2009
Balashov, T., Schuh, T., Takács, A. F., Ernst, A., Ostanin, S. A., 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)


TH-2009-19
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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)


TH-2009-16
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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)


TH-2009-13
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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)


TH-2009-17
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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)


TH-2009-20
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Castro, A., Räsänen, E., Rubio, A., Gross, E. K. U.

Femtosecond laser pulse shaping for enhanced ionization

EPL 87, (5),pp 53001/p1-p6 (2009)


TH-2009-30
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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)


TH-2009-01
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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)


TH-2009-21
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Gierz, I., Suzuki, T., Frantzeskakis, E., Pons, S., Ostanin, S. A., 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)


TH-2009-24
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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)


TH-2009-07
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Hortamani, M., Sandratskii, L. M., Kratzer, P., Mertig, I.

Searching for Si-based spintronics by first principles

New Journal of Physics 11, (12),pp 125009/1-23 (2009)


TH-2009-38
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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)


TH-2009-29
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Ignatiev, P. A., Negulyaev, 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)


TH-2009-35
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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)


TH-2009-23
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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)


TH-2009-31
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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)


TH-2009-26
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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)


TH-2009-12
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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)


TH-2009-27
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Maznichenko, I. V., Ostanin, S. A., Ernst, A., Mertig, I.

First-principles study of manganese-stabilized hafnia

Journal of Magnetism and Magnetic Materials 321, (7),pp 913-916 (2009)


TH-2009-06
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Meyerheim, H. L., Tonnerre, J.-M., Sandratskii, L. M., 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)


TH-2009-37
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Meyerheim, H. L., Tusche, C., Ernst, A., Ostanin, S. A., 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)


TH-2009-10
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Mirhosseini, H., Henk, J., Ernst, A., Ostanin, S. A., Chiang, C.-T., Yu, P., 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)


TH-2009-15
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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)


TH-2009-02
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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 Highlightspp 81-82 (2009)


TH-2009-25
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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)


TH-2009-22
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Moreschini, L., Bendounan, A., Gierz, I., Ast, C. R., Mirhosseini, H., Höchst, H., Kern, K., Henk, J., Ernst, A., Ostanin, S. A., 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)


TH-2009-04
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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)


TH-2009-11
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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)


TH-2009-18
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Pittalis, S., Räsänen, 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)


TH-2009-33
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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)


TH-2009-05
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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)


TH-2009-14
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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)


TH-2009-08
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Sukhov, A., Berakdar, J.

Steering magnetization dynamics of nanoparticles with ultrashort pulses

Physical Review B 79, (13),pp 134433/1-10 (2009)


TH-2009-34
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Sukhov, A., Berakdar, J.

Local control of ultrafast dynamics of magnetic nanoparticles

Physical Review Letters 102, (5),pp 057204/1-4 (2009)


TH-2009-03
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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)


TH-2009-32
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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)


TH-2009-09
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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)


TH-2009-36
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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)


TH-2009-28
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