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)
(Reference: TH-2011-49)

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)
(Reference: TH-2011-48)

Essenberger, F., Sharma, S., Dewhurst, J. K., Bersier, C., Cricchio, F., Nordström, L., Gross, E. K. U.:
Magnon spectrum of transition-metal-oxides: Calculations including long-range magnetic interactions using the LSDA+U method
Physical Review B 84, (17), pp 174425/1-12 (2011)
(Reference: TH-2011-47)

Buczek, P., Ernst, A., Sandratskii, L. M.:
Different dimensionality trends in the Landau damping of magnons in iron, cobalt, and nickel: Time-dependent density functional study
Physical Review B 84, (17), pp 174418/1-23 (2011)
(Reference: TH-2011-46)

Fischer, G., Sanchez, N., Adeagbo, W., Lüders, M., Szotek, Z., Temmerman, W. M., Ernst, A., Hergert, W., Munoz, M. C.:
Room-temperature p-induced surface ferrogmagnetism: First-principles study
Physical Review B 84, (20), pp 205306/1-5 (2011)
(Reference: TH-2011-45)

Dhaka, A., Sander, D., Meyerheim, H. L., Mohseni, K., Soyka, E., Kirschner, J., Adeagbo, W. A., Fischer, G., Ernst, A., Hergert, W.:
Stress and structure at the NiO/Ag(001) interface
Physical Review B 84, (19), pp 195441/1-6 (2011)
(Reference: TH-2011-44)

Casula, M., Calandra, M., Profeta, G., Mauri, F.:
Intercalant and intermolecular phonon assisted superconductivity in K-doped picene
Physical Review Letters 107, (13), pp 137006/1-5 (2011)
(Reference: TH-2011-43)

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)
(Reference: TH-2011-42)

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)
(Reference: TH-2011-41)

Sharma, S., Dewhurst, J. K., Sanna, A., Gross, E. K. U.:
Boostrap approximation of the exchange-korrelation kernel of time-dependent density-functional theory
Physical Review Letters 107, (18), pp 186401/1-5 (2011)
(Reference: TH-2011-40)

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)
(Reference: TH-2011-39)

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)
(Reference: TH-2011-38)

Bekenov, L. V., Antonov, V. N., Ostanin, S. A., Yaresko, A. N., Maznichenko, I. V., Hergert, W., Mertig, I., Ernst, A.:
Electronic and magnetic properties of (Zn_1-xV_x)O diluted magnetic semiconductors elucidated from x-ray magnetic circular dichroism at V L_2,3 edges and first-principles calculations
Physical Review B 84, (13), pp 134421/1-8 (2011)
(Reference: TH-2011-37)

Floris, A., de Gironcoli, S., Gross, E. K. U., Cococcioni, M.:
Vibrational properties of MnO and NiO from DFT + U-based density functional perturbation theory
Physical Review B 84, (16), pp 161102(R)/1-4 (2011)
(Reference: TH-2011-36)

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
Proceedings SPIE ``Spintronics IV'' 8100, pp 81000O/1-9 (Eds.) Drouhin, H.-J. M., Wegrowe, J.-E. and Razeghi, M., San Diego, USA (2011)
(Reference: TH-2011-35)

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)
(Reference: TH-2011-34)

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)
(Reference: TH-2011-33)

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)
(Reference: TH-2011-32)

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)
(Reference: TH-2011-31)

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)
(Reference: TH-2011-30)

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)
(Reference: TH-2011-29)

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)
(Reference: TH-2011-28)

Etz, C., Vernes, A., Weinberger, P.:
Magneto-optical properties of Co/Ir superstructures on Ir(111)
Physical Review B 84, (1), pp 014419/1-7 (2011)
(Reference: TH-2011-27)

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)
(Reference: TH-2011-26)

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)
(Reference: TH-2011-25)

Shallcross, S., Sharma, S., Landgraf, W., Pankratov, O.:
Electronic structure of graphene twist stacks
Physical Review B 83, (15), pp 1-4 (2011)
(Reference: Th-2011-24)

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)
(Reference: TH-2011-23)

Concas, G., Dewhurst, J. K., Sanna, A., Sharma, S., Massidda, S.:
Anisotropic exchange interaction between nonmagnetic europium cations in Eu₂O₃
Physical Review B 84, (1), pp 014427/1-8 (2011)
(Reference: TH-2011-22)

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)
(Reference: TH-2011-21)

Böttcher, D., Ernst, A., Henk, J.:
Atomistic magnetization dynamics in nanostructures based on first principles calculations: Application to Co nanoislands on Cu(111)
Journal of Physics: Condensed Matter 23, (29), pp 296003/1-8 (2011)
(Reference: TH-2011-20)

Cangi, A., Lee, D., Elliott, P., Burke, K., Gross, E. K. U.:
Electronic structure via potential function approximation
Physical Review Letters 106, (23), pp 236404/1-4 (2011)
(Reference: TH-2011-19)

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)
(Reference: TH-2011-18)

Bose, P., Zahn, P., Mertig, I., Henk, J.:
Correlating transmission and local electronic structure in planar junctions: A tool for analyzing transport calculations
Physical Review B 83, (17), pp 174451/1-7 (2011)
(Reference: TH-2011-17)

Eremeev, S. V., Bihlmayer, G., Vergniory, M., Koroteev, Yu. M., Menshchikova, T. V., Henk, J., Ernst, A., Chulkov, E. V.:
Ab initio electronic structure of thallium-based topological insulators
Physical Review B 83, (20), pp 205129/1-8 (2011)
(Reference: TH-2011-16)

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)
(Reference: TH-2011-15)

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)
(Reference: TH-2011-14)

Buczek, P., Ernst, A., Sandratskii, L. M.:
Interface electronic complexes and Landau damping of magnons in ultrathin magnets
Physical Review Letters 106, (15), pp 157204/1-4 (2011)
(Reference: TH-2011-13)

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)
(Reference: TH-2011-12)

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)
(Reference: TH-2011-11)

Brovko, O. O., Ignatiev, P. A., Stepanyuk, V. S.:
Confined bulk states as a long-range sensor for impurities and a transfer channel for quantum information
Physical Review B 83, (12), pp 125415/1-4 (2011)
(Reference: TH-2011-10)

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)
(Reference: TH-2011-09)

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)
(Reference: TH-2011-08)

Gerhard, L., Ernst, A.:
Magnetoelektrische Kopplung an Metalloberflächen
Physik in unserer Zeit 42, (2), pp 61-62 (2011)
(Reference: TH-2011-07)

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)
(Reference: TH-2011-06)

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)
(Reference: TH-2011-05)

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)
(Reference: TH-2011-04)

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)
(Reference: TH-2011-03)

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)
(Reference: TH-2011-02)

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)
(Reference: TH-2011-01)

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