Publications

Gerhard, L., Yamada, T. K., Balashov, T., Takácz, A. F., Wesselink, R. J. H., Däne, M., Fechner, M., Ostanin, S. A., Ernst, A., Mertig, I., Wulfhekel, W.

Electrical control of the magnetic state of Fe

IEEE Transactions on Magnetics 47, (6),pp 1619-1622 (2011)

TH-2011-18

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Gierz, I., Henk, J., Höchst, H., Ast, Ch. R., Kern, K.

Illuminating the dark corridor in graphene: Polarization dependence of angle-resolved photoemission spectroscopy on graphene

Physical Review B 83, (12),pp 121408(R)/1-4 (2011)

TH-2011-09

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Golrokh Bahoosh, S., Trimper, S., Wesselinowa, J. M.

Origin of ferromagnetism in BaTiO₃ nanoparticles

Physica Status Solidi RRL 5, (10-11),pp 382-384 (2011)

TH-2011-50

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Hallal, A., Berdot, T., Dey, P., Tati Bismaths, L., Joly, L., Bourzami, A., Scheurer, F., Bulou, H., Henk, J., Alouani, M., Weber, W.

Ultimate limit of electron-spin precession upon reflection in ferromagnetic films

Physical Review Letters 107, (8),pp 087203/1-5 (2011)

TH-2011-28

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Helbig, N., Fuks, J. I., Tokatly, I. V., Appel, H., Gross, E. K. U., Rubio, A.

Time-dependent density-functional and reduced density-matrix methods for few electrons: Exact versus adiabatic approximations

Chemical Physics 391, (1),pp 1-10 (2011)

TH-2011-48

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Hölzer, M., Fechner, M., Ostanin, S. A., Mertig, I.

Ab initio study of magnetoelectricity in Fe/BaTiO₃: The effects of n-doped perovskite interfaces

Journal of Physics: Condensed Matter 23, (45),pp 455902/1-6 (2011)

TH-2011-42

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Ignatiev, P. A., Stepanyuk, V. S.

Effect of the external electric field on surface states: An ab initio study

Physical Review B 84, (7),pp 075421/1-7 (2011)

TH-2011-23

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Jacob, D., Palacios, J. J.

Critical comparison of electrode models in density functional theory based quantum transport calculations

The Journal of Chemical Physics 134, (4),pp 044118/1-16 (2011)

TH-2011-03

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Karolak, M., Jacob, D., Lichtenstein, A. I.

Orbital Kondo effect in cobalt-benzene sandwich molecules

Physical Review Letters 107, (14),pp 146604/1-5 (2011)

TH-2011-33

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Krieger, K., Castro, A., Gross, E. K. U.

Optimization schemes for selective molecular cleavage with tailored ultrashort laser pulses

Chemical Physics 391, (1),pp 50-61 (2011)

TH-2011-49

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Laref, A., Sasioglu, E., Galanakis, I.

Exchange interactions, spin waves, and Curie temperature in zincblende half-metallic sp-electron ferromagnets: The case of CaZ (Z = N, P, As, Sb)

Journal of Physics: Condensed Matter 23, (29),pp 296001/1-6 (2011)

TH-2011-26

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Meier, F., Petrov, V., Mirhosseini, H., Patthey, L., Henk, J., Osterwalder, J., Dil, J. H.

Interference of spin states in photoemission from Sb/Ag(111) surface alloys

Journal of Physics: Condensed Matter 23, (7),pp 072207/1-6 (2011)

TH-2011-02

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Meyerheim, H. L., Klimenta, F., Ernst, A., Mohseni, K., Ostanin, S. A., Fechner, M., Parihar, S. S., Maznichenko, I. V., Mertig, I., Kirschner, J.

Structural secrets of multiferroic interfaces

Physical Review Letters 106, (8),pp 087203/1-4 (2011)

TH-2011-05

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

Electric field as a switching tool for magnetic states in atomic-scale nanostructures

Physical Review Letters 106, (3),pp 037202/1-4 (2011)

TH-2011-01

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Oka, H., Rodary, G. and Wedekind, S., Ignatiev, P. A., Niebergall, L., Stepanyuk, V. S., Sander, D., Kirschner, J.

New insights into nanomagnetism: Spin-polarized scanning tunneling microscopy and spectroscopy studies

Spintronics IV, Proceedings of SPIE 8100, pp 81000O/1-9 (Eds.) Drouhin, H.-J. M., Wegrowe, J.-E. and Razeghi, M.,San Diego, USA (2011)

TH-2011-35

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Oka, H., Tao, K., Wedekind, S., Rodary, G., Stepanyuk, V. S., Sander, D., Kirschner, J.

Spatially modulated tunnel magnetoresistance on the nanoscale

Physical Review Letters 107, (18),pp 187201/1-4 (2011)

TH-2011-39

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Otrokov, M. M., Ernst, A., Ostanin, S. A., Fischer, G., Buczek, P., Sandratskii, L. M., Hergert, W., Mertig, I., Kuznetsov, V. M., Chulkov, E. V.

Intralayer magnetic ordering in Ge/Mn digital alloys

Physical Review B 83, (15),pp 155203/1-6 (2011)

TH-2011-12

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Otrokov, M. M., Ernst, A., Tugushev, V. V., Ostanin, S. A., Buczek, P., Sandratskii, L. M., Fischer, G., Hergert, W., Mertig, I., Kuznetsov, V. M., Chulkov, E. V.

Ab initio study of the magnetic ordering in Si/Mn digital alloys

Physical Review B 84, (14),pp 144431/1-11 (2011)

TH-2011-41

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Otrokov, M. M., Tugushev, V. V., Ernst, A., Ostanin, S. A., Kuznetsov, V. M., Chulkov, E. V.

Magnetic ordering in digital alloys of group-IV semiconductors with 3d-transition metals

Journal of Experimental and Theoretical Physics 112, (4),pp 626-636 (2011)

TH-2011-15

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Piotrowski, M. J., Piquini, P., Odashima, M. M., Da Silva, J. L. F.

Transition-metal 13-atom clusters assessed with solid and surface-biased functionals

Journal of Chemical Physics 134, (13),pp 134105/1-6 (2011)

TH-2011-11

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Pittalis, S., Proetto, C. R., Floris, A., Sanna, A., Bersier, C., Burke, K., Gross, E. K. U.

Exact conditions in finite-temperature density-functional theory

Physical Review Letters 107, (16),pp 163001/1-5 (2011)

TH-2011-38

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Rangel, T., Ferretti, A., Trevisanutto, P. E., Olevano, V., Rignanese, G.-M.

Transport properties of molecular junctions from many-body perturbation theory

Physical Review B 84, (4),pp 045426/1-5 (2011)

TH-2011-21

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Sandratskii, L. M., Mavropoulos, P.

Magnetic excitations and femtomagnetism of FeRh: A first principles study

Physical Review B 83, (17),pp 174408/1-13 (2011)

TH-2011-14

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Sanna, A., Bernardini, F., Profeta, G., Sharma, S., Dewhurst, J. K., Lucarelli, A., Degiorgi, L., Gross, E. K. U., Massidda, S.

Theoretical investigation of optical conductivity in Ba(Fe_1−xCo_x)₂As₂

Physical Review B 83, (5),pp 054502/1-7 (2011)

TH-2011-04

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Schuh, T., Balashov, T., Miyamachi, T., Wu, S.-Y., Kuo, C. C., Ernst, A., Henk, J., Wulfhekel, W.

Magnetic anisotropy and magnetic excitations in supported atoms

Physical Review B 84, (10),pp 104401/1-5 (2011)

TH-2011-31

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Shallcross, S., Sharma, S., Landgraf, W., Pankratov, O.

Electronic structure of graphene twist stacks

Physical Review B 83, (15),pp 1-4 (2011)

Th-2011-24

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Sharma, S., Dewhurst, J. K., Sanna, A., Gross, E. K. U.

Boostrap approximation of the exchange-correlation kernel of time-dependent density-functional theory

Physical Review Letters 107, (18),pp 186401/1-5 (2011)

TH-2011-40

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Thamankar, R., Meyerheim, H. L., Ernst, A., Ostanin, S. A., Maznichenko, I. V., Soyka, E., Mertig, I., Kirschner, J.

Tilting, bending, and nonterminal sites in CO/Cu(001)

Physical Review Letters 106, (10),pp 106101/1-4 (2011)

TH-2011-06

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Tsysar, K. M., Bazhanov, D. I., Saletsky, A. M., Brovko, O. O., Stepanyuk, V. S.

Influence of hydrogen impurities on atomic and electronic structure of palladium nanowires and nanocontacts

Physical Review B 84, (8),pp 085457/1-8 (2011)

TH-2011-30

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Uimonen, A.-M., Khosravi, E., Stan, A., Stefanucci, G., Kurth, S., van Leeuwen, R., Gross, E. K. U.

Comparative study of many-body perturbation theory and time-dependent density functional theory in the out-of-equilibrium Anderson model

Physical Review B 84, (11),pp 115103/1-10 (2011)

TH-2011-32

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Ünal, A. A., Tusche, C., Ouazi, S., Wedekind, S., Chiang, C.-T., Winkelmann, A., Sander, D., Henk, J., Kirschner, J.

Hybridization between the unoccupied Shockley surface state and bulk electronic states on Cu(111)

Physical Review B 84, (7),pp 073107/1-4 (2011)

TH-2011-29

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Wang, D. A., Liu, L. F., Zhang, F., Tao, K., Pippel, E., Domen, K.

Spontaneous phase and morphology transformations of anodized titania nanotubes induced by water at room temperature

Nano Letters 11, (9),pp 3649-3655 (2011)

TH-2011-34

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Yu, S.-W., Tobin, J. G., Crowhurst, J. C., Sharma, S., Dewhurst, J. K., Olalde Velasco, P., Lang, W. L., Siekhaus, W. J.

f - f origin of the insulating state in uranium dioxide: X-ray absorption experiments and first-principles calculations

Physical Review B 83, (16),pp 165102/1-8 (2011)

TH-2011-25

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Zhang, Yu, Ignatiev, P. A., Prokop, J., Tudosa, I., Peixoto, T. R. F., Tang, W. X., Zakeri Lori, K., Stepanyuk, V. S., Kirschner, J.

Elementary excitations at magnetic surfaces and their spin dependence

Physical Review Letters 106, (12),pp 127201/1-4 (2011)

TH-2011-08

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