Publications

Theory Department
Max Planck Institute of Microstructure Physics

Theory Department > Publications

2008

Antonov, V. N., Ernst, A., Maznichenko, I. V., Yaresko, A. N., Shpak, A. P.

Electronic structure and x-ray magnetic circular dichroism in Heusler-type Fe_2−xV_1+xAl: First-principles calculations

Physical Review B 77, (13),pp 134444/1-8 (2008)

TH-2008-09

PDF-File

Ast, C. R., Pacilé, D., Moreschini, L., Falub, M. C., Papagno, M., Kern, K., Grioni, M., Henk, J., Ernst, A., Ostanin, S. A., Bruno, P.

Spin-orbit split two-dimensional electron gas with tunable Rashba and Fermi energy

Physical Review B 77, (8),pp 081407(R)/1-4 (2008)

TH-2008-03

PDF-File

Balashov, T., Takács, A. F., Däne, M., Ernst, A., Bruno, P., Wulfhekel, W.

Inelastic electron-magnon interaction and spin transfer torque

Physical Review B 78, (17),pp 174404/1-5 (2008)

TH-2008-23

PDF-File

Borisova, S. D., Eremeev, S. V., Rusina, G. G., Stepanyuk, V. S., Bruno, P., Chulkov, E. V.

Vibrations of small cobalt clusters on low-index surfaces of copper: Tight-binding simulations

Physical Review B 78, (7),pp 075428/1-17 (2008)

TH-2008-18

PDF-File

Bose, P., Ernst, A., Mertig, I., Henk, J.

Large reduction of the magnetoresistance in Fe/MgO/Fe tunnel junctions due to small oxygen concentrations at a single FeO interface layer: A first-principles study

Physical Review B 78, (9),pp 092403/1-4 (2008)

TH-2008-19

PDF-File

Brovko, O. O., Ignatiev, P. A., Stepanyuk, V. S., Bruno, P.

Tailoring exchange interactions in engineered nanostructures: An ab initio study

Physical Review Letters 101, (3),pp 036809/1-4 (2008)

TH-2008-15

PDF-File

Brovko, O. O., Stepanyuk, V. S., Bruno, P.

Effect of exchange interaction on the spin-polarized bound states on metal surfaces: Ab initio study

Physical Review B 78, (16),pp 165413/1-5 (2008)

TH-2008-21

PDF-File

Fechner, M., Maznichenko, I. V., Ostanin, S. A., Ernst, A., Henk, J., Bruno, P., Mertig, I.

Magnetic phase transition in two-phase multiferroics predicted from first principles

Physical Review B 78, (21),pp 212406/1-4 (2008)

TH-2008-27

PDF-File

Frantzeskakis, E., Pons, S., Mirhosseini, H., Henk, J., Ast, C. R., Grioni, M.

Tunable spin gaps in a quantum-confined geometry

Physical Review Letters 101, (19),pp 196805/1-4 (2008)

TH-2008-24

PDF-File

Gao, C. L., Ernst, A., Fischer, G., Hergert, W., Bruno, P., Wulfhekel, W., Kirschner, J.

Spin wave dispersion on the nanometer scale

Physical Review Letters 101, (16),pp 167201/1-4 (2008)

TH-2008-22

PDF-File

Gao, C. L., Ernst, A., Winkelmann, A., Henk, J., Wulfhekel, W., Bruno, P., Kirschner, J.

Noncollinear surface spin density by surface reconstruction in the alloy NiMn

Physical Review Letters 100, (23),pp 237203/1-4 (2008)

TH-2008-12

PDF-File

Heidaari Saani, M., Hashemi, H., Ranjbar, A., Vesaghi, M. A., Shafiekhani, A.

Explanation of atomic discplacement around lattice vacancies in diamond based on electron delocalization

European Physical Journal B 65, (2),pp 219-223 (2008)

TH-2008-37

PDF-File

Hortamani, M., Sandratskii, L. M., Kratzer, P., Mertig, I., Scheffler, M.

Exchange interactions and critical temperature of bulk and thin films of MnSi: A density functional theory study

Physical Review B 78, (10),pp 104402/1-9 (2008)

TH-2008-28

PDF-File

Huang, R. Z., Stepanyuk, V. S., Kirschner, J.

Tip-induced atom extraction: effect of tip geometry and its composition

New Journal of Physics 10, (10),pp 083044/1-12 (2008)

PDF-File

Hughes, I. D., Däne, M., Ernst, A., Hergert, W., Lüders, M., Staunton, J. B., Szotek, Z., Temmerman, W. M.

Onset of magnetic order in strongly-correlated systems from ab initio electronic structure calculations: Application to transition metal oxides

New Journal of Physics 10, (6),pp 063010/1-13 (2008)

TH-2008-11

PDF-File

Khan, M. N., Henk, J., Bruno, P.

Anisotropic magnetoresistance in Fe/MgO/Fe tunnel junctions

Journal of Physics: Condensed Matter 20, (15),pp 155208/1-8 (2008)

TH-2008-05

PDF-File

Kudrnovsky, J., Drchal, V., Bruno, P.

Magnetic properties of fcc Ni-based transition metal alloys

Physical Review B 77, (22),pp 224422/1-8 (2008)

TH-2008-30

PDF-File

Kudrnovsky, J., Drchal, V., Turek, I., Weinberger, P.

Electronic, magnetic, and transport properties and magnetic phase transition in quaternary (Cu, Ni)MnSb Heusler alloys

Physical Review B 78, (5),pp 054441/1-8 (2008)

TH-2008-29

PDF-File

Meyerheim, H. L., Sander, D., Negulyaev, N. N., Stepanyuk, V. S., Popescu, R., Popa, I., Kirschner, J.

Buried Ni/Cu(001) interface at the atomic scale

Physical Review Letters 100, (14),pp 146101/1-4 (2008)

TH-2008-08

PDF-File

Mirhosseini, H., Saha, K. K., Ernst, A., Henk, J.

Electron correlation effects in the magnetoresistance of Fe/MgO/Fe tunnel junctions: First-principles calculations

Physical Review B 78, (1),pp 012404/1-4 (2008)

Th-2008-13

PDF-File

Mironets, O., Meyerheim, H. L., Tusche, C., Stepanyuk, V. S., Soyka, E., Zschack, P., Hong, H., Jeutter, N., Felici, R., Kirschner, J.

Direct evidence for mesoscopic relaxations in cobalt nanoislands on Cu(001)

Physical Review Letters 100, (9),pp 096103/1-4 (2008)

TH-2008-06

PDF-File

Mookerjee, A., Tarafder, K., Chakrabarti, A., Saha, K. K.

Short-range order and its effect on the electronic structure of binary alloys: CuZn - a case study

PRAMANA - Journal of Physics 70, (2),pp 221-235 (2008)

TH-2008-31

PDF-File

Mulazzi, M., Hochstasser, M., Fujii, J., Vobornik, I., Rossi, G., Henk, J.

Magnetization-induced symmetry breaking at the surface of ferromagnetic Ni(111)

Europhysics Letters 82, (5),pp 57001/1-5 (2008)

TH-2008-10

PDF-File

Negulyaev, N. N., Stepanyuk, V. S., Bruno, P., Diekhöner, L., Wahl, P., Kern, K.

Bilayer growth of nanoscale Co islands on Cu(111)

Physical Review B 77, (12),pp 125437/1-7 (2008)

TH-2008-07

PDF-File

Negulyaev, N. N., Stepanyuk, V. S., Hergert, W., Bruno, P., Kirschner, J.

Atomic-scale self-organization of Fe nanostripes on stepped Cu(111) surfaces: Molecular dynamics and kinetic Monte Carlo simulations

Physical Review B 77, (8),pp 085430/1-9 (2008)

TH-2008-04

PDF-File

Negulyaev, N. N., Stepanyuk, V. S., Niebergall, L., Bruno, P., Hergert, W., Repp, J., Rieder, K.-H., Meyer, G.

Direct evidence for the effect of quantum confinement of surface-state electrons on atomic diffusion

Physical Review Letters 101, (22),pp 226601/1-4 (2008)

TH-2008-26

PDF-File

Saha, K. K., Henk, J., Ernst, A., Bruno, P.

Multiple-scattering theoretical approach to scanning tunneling microscopy

Physical Review B 77, (8),pp 085427/1-12 (2008)

TH-2008-02

PDF-File

Sandratskii, L. M.

Thermal magnetic properties of the Ni sublattice in half-metallic NiMnSb: A theoretical study based on first-principles calculations

Physical Review B 78, (9),pp 094425/1-12 (2008)

TH-2008-20

PDF-File

Sasioglu, E., Sandratskii, L. M., Bruno, P.

Role of conduction electrons in mediating exchange interactions in Mn-based Heusler alloys

Physical Review B 77, (6),pp 064417/1-15 (2008)

TH-2008-32

PDF-File

Schiffrin, A., Reichert, J., Auwärter, W., Jahnz, G., Pennec, Y., Weber-Bargioni, A., Stepanyuk, V. S., Niebergall, L., Bruno, P., Barth, J. V.

Self-aligning atomic strings in surface-supported biomolecular gratings

Physical Review B 78, (3),pp 035424/1-7 (2008)

TH-2008-14

PDF-File

Smelova, K. M., Bazhanov, D. I., Stepanyuk, V. S., Hergert, W., Saletsky, A. M., Bruno, P.

Interplay between magnetism and structure in atomic-size Pd contacts: Ab initio studies

Physical Review B 77, (3),pp 033408/1-4 (2008)

TH-2008-01

PDF-File

Smirnov, A. S., Negulyaev, N. N., Niebergall, L., Hergert, W., Saletsky, A. M., Stepanyuk, V. S.

Effect of quantum confinement of surface electrons on an atomic motion on nanoislands: Ab initio calculations and kinetic Monte Carlo simulations

Physical Review B 78, (4),pp 041405(R)/1-4 (2008)

TH-2008-16

PDF-File

Sukhov, A., Berakdar, J.

Temperature-dependent magnetization dynamics of magnetic nanoparticles

Journal of Physics: Condensed Matter 20, (12),pp 125226/1-9 (2008)

TH-2008-33

PDF-File

Taillefumier, M., Dugaev, V. K., Canals, B., Lacroix, C., Bruno, P.

Chiral two-dimensional electron gas in a periodic magnetic field: Persistent current and quantized anomalous Hall effect

Physical Review B 78, (15),pp 155330/1-10 (2008)

TH-2008-34

PDF-File

Tao, K., Stepanyuk, V. S., Bruno, P., Bazhanov, D. I., Maslyuk, V. V., Brandbyge, M., Mertig, I.

Manipulating magnetism and conductance of an adatom-molecule junction on a metal surface: An ab initio study

Physical Review B 78, (1),pp 014426/1-4 (2008)

TH-2008-17

PDF-File

Vitali, L., Ohmann, R., Stepanow, S., Gambardella, P., Tao, K., Huang, R. Z., Stepanyuk, V. S., Bruno, P., Kern, K.

Kondo effect in single atom contacts: The importance of the atomic geometry

Physical Review Letters 101, (21),pp 216802/1-4 (2008)

TH-2008-25

PDF-File

Wei, J. H., Liu, X. J., Berakdar, J., Yan, Y.-J.

Pathways to polaron and bipolaron transport in DNA double strands

The Journal of Chemical Physics 128, (16),pp 165101/1-7 (2008)

TH-2008-35

PDF-File

Yu, P., Jin, X.-F., Kudrnovsky, J., Wang, D. S., Bruno, P.

Curie temperature of fcc and bcc nickel and permalloy: Supercell and Green"s function methods

Physical Review B 77, (5),pp 054431/1-8 (2008)

TH-2008-36

PDF-File