Napitu, B., Berakdar, J.:
Two-particle photoemission from strongly correlated systems: A dynamical mean-field approach
Physical Review B 81, (19), pp 195108/1-11 (2010)
(Reference: TH-2011-56)

Appel, H., Gross, E. K. U.:
Time-dependent natural orbitals and occupation numbers
EPL 92, (10), pp 23001/1-5 (2010)
(Reference: TH-2010-55)

Thakur, A., Berakdar, J.:
Self-focusing and defocusing of twisted light in non-linear media
OPTICS EXPRESS 18, (26), pp 27691/1-6 (2010)
(Reference: TH-2010-54)

Hinsche, N. F., Fechner, M., Bose, P., Ostanin, S., Henk, J., Mertig, I., Zahn, P.:
Strong influence of complex band structure on tunneling electroresistance: A combined model and ab initio study
Physical Review B 82, (21), pp 214110/1-9 (2010)
(Reference: TH-2010-53)

Abdelouahed, S., Henk, J.:
Strong effect of substrate termination on Rashba spin-orbit splitting: Bi on BaTiO₃(001) from first principles
Physical Review B 82, (19), pp 193411/1-4 (2010)
(Reference: TH-2010-52)

Jacob, D., Haule, K., Kotliar, G.:
Dynamical mean-field theory for molecular electronics: Electronic structure and transport properties
Physical Review B 82, (19), pp 195115/1-10 (2010)
(Reference: TH-2010-51)

Gerhard, L., Yamada, T. K., Balashov, T., Takacs, A. F., Wesselink, R. J. H., Däne, M., Fechner, M., Ostanin, S., Ernst, A., Mertig, I., Wulfhekel, W.:
Magnetoelectric coupling at metal surfaces
Nature Nanotechnology 5, (11), pp 792-797 (2010)
(Reference: TH-2010-50)

Schmidt, A. B., Pickel, M., Donath, M., Buczek, P., Ernst, A., Zhukov, V. P., Echenique, P. M., Sandratskii, L. M., Chulkov, E. V., Weinelt, M.:
Ultrafast magnon generation in an Fe film on Cu(100)
Physical Review Letters 105, (19), pp 19401/1-4 (2010)
(Reference: TH-2010-49)

Sandratskii, L. M.:
Stable and variable features of the magnetic structure of fcc Fe/Cu(001) films
Physical Review B 81, (6), pp 064417/1-15 (2010)
(Reference: TH-2010-48)

Shallcross, S., Sharma, S., Kandelaki, E., Pankratov, O. A.:
Electronic structure of turbostratic graphene
Physical Review B 81, (16), pp 165105/1-15 (2010)
(Reference: TH-2010-47)

Ignatiev, P. A., Negulyaev, N. N., Niebergall, L., Hashemi, H., Hergert, W., Stepanyuk, V. S.:
Electronic structure and magnetism of monatomic one-dimensional metal nanostructures on metal surfaces
Physica Status Solidi B 247, (10), pp 2537-2549 (2010)
(Reference: TH-2010-46)

Hortamani, M., Sandratskii, L. M., Mertig, I.:
Does a Heisenberg Hamiltonian describe magnetic interaction in a MnSi film properly?
Journal of Magnetism and Magnetic Materials 322, (9-12), pp 1082-1084 (2010)
(Reference: TH-2010-45)

Bose, P., Zahn, P., Henk, J., Mertig, I.:
Tailoring tunnel magnetoresistance by ultrathin Cr and Co interlayers: A first-principles investigation of Fe/MgO/Fe junctions
Physical Review B 82, (1), pp 014412/1-7 (2010)
(Reference: TH-2010-44)

Abdelouahed, S., Ernst, A., Henk, J., Maznichenko, I. V., Mertig, I.:
Spin-split electronic states in graphene: Effects due to lattice deformation, Rashba effect, and adatoms by first principles
Physical Review B 82, (12), pp 125424/1-8 (2010)
(Reference: TH-2010-43)

Adeagbo, W. A., Fischer, G., Ernst, A., Hergert, W.:
Magnetic effects of defect pair formation in ZnO
Journal of Physics: Condensed Matter 22, (43), pp 436002/1-9 (2010)
(Reference: TH-2010-42)

Brovko, O. O., Negulyaev, N. N., Stepanyuk, V. S.:
Relativistic peculiarities at stepped surfaces: Energetics and diffusion patterns obtained from ab initio calculations
Physical Review B 82, (15), pp 155452/1-4 (2010)
(Reference: TH-2010-41)

Tao, K., Rungger, I., Sanvito, S., Stepanyuk, V. S.:
Quantum conductance of a single magnetic atom: An ab initio study
Physical Review B 82, (8), pp 085412/1-4 (2010)
(Reference: TH-2010-40)

Mirhosseini, H., Ernst, A., Ostanin, S., Henk, J.:
Tuning independently the Fermi energy and spin splitting in Rashba systems: Ternary surface alloys on Ag(111)
Journal of Physics: Condensed Matter 22, (38), pp 385501/1-6 (2010)
(Reference: TH-2010-39)

Tange, A., Gao, C. L., Yavorsky, B. Yu., Maznichenko, I. V., Etz, C., Ernst, A., Hergert, W., Mertig, I., Wulfhekel, W., Kirschner, J.:
Electronic structure and spin polarization of the Fe(001)-p(1x1)O surface
Physical Review B 81, (19), pp 195410/1-6 (2010)
(Reference: TH-2010-38)

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
ESRF Highlights 2009 ( ), pp 30-31 (2010)
(Reference: TH-2010-37)

Buczek, P., Ernst, A., Sandratskii, L. M.:
Standing spin waves as a basis for the control of Terahertz spin dynamics: Time-dependent density functional theory study
Physical Review Letters 105, (9), pp 097205/1-4 (2010)
(Reference: TH-2010-36)

Oka, H., Ignatiev, P. A., Wedekind, S., Rodary, G., Niebergall, L., Stepanyuk, V. S., Sander, D., Kirschner, J.:
Spatial modulation of spin polarization within a single Co island
Hyomen Kagaku 31, (9), pp 480-486 (2010)
(Reference: TH-2010-35)

Samarin, S. N., Williams, J. F., Artamonov, O. M., Henk, J., Feder, R.:
Spin-asymmetry in elastic scattering of low-energy electrons from ultrathin Au films on W (110)
Surface Science 604, (21-22), pp 1833-1839 (2010)
(Reference: TH-2010-34)

Otrokov, M. M., Ostanin, S., Ernst, A., Kuznetsov, V. M., Chulkov, E. V.:
Digital magnetic heterostructures based on Si and Fe
Physics of the Solid State 52, (8), pp 1680-1687 (2010)
(Reference: TH-2010-33)

Ziese, M., Vrejoiu, I., Pippel, E., Esquinazi, P., Hesse, D., Etz, C., Henk, J., Ernst, A., Maznichenko, I. V., Hergert, W., Mertig, I.:
Tailoring magnetic interlayer coupling in La_0.7Sr_0.3MnO₃/SrRuO₃ superlattices
Physical Review Letters 104, (16), pp 167203/1-4 (2010)
(Reference: TH-2010-32)

Abedi, A., Maitra, N. T., Gross, E. K. U.:
Exact factorization of the time-dependent electron-nuclear wave function
Physical Review Letters 105, (12), pp 123002/1-4 (2010)
(Reference: TH-2010-31)

Kurth, S., Stefanucci, G., Khosravi, E., Verdozzi, C., Gross, E. K. U.:
Dynamical Coulomb blockade and the derivative discontinuity of time-dependent density functional theory
Physical Review Letters 104, (23), pp 236801/1-4 (2010)
(Reference: TH-2010-30)

Bose, P., Zahn, P., Mertig, I., Henk, J.:
Spin polarization in photoelectron spectroscopy from antiferromagnets: Cr films on Fe(110) from first principles
Journal of Electron Spectroscopy and Related Phenomena 182, pp 97-102 (2010)
(Reference: TH-2010-29)

Berdot, T., Hallal, A., Tati Bismaths, L., Joly, L., Dey, P., Henk, J., Alouani, M., Weber, W.:
Effect of submonolayer MgO coverages on the electron-spin motion in Fe(001): Experiment and theory
Physical Review B 82, (17), pp 172407/1-4 (2010)
(Reference: TH-2010-28)

Lathiotakis, N. N., Sharma, S., Helbig, N., Dewhurst, J. K., Marques, M. A. L., Eich, F. G., Baldsiefen, T., Zacarias, A., Gross, E. K. U.:
Discontinuities of the chemical potential in reduced density matrix functional theory
Zeitschrift für Physikalische Chemie 224, (3-4), pp 467-480 (2010)
(Reference: TH-2010-27)

Monni, M., Bernardini, F., Profeta, G., Sanna, A., Sharma, S., Dewhurst, J. K., Bersier, C., Continenza, A., Gross, E. K. U., Massidda, S.:
Static and dynamical susceptibility of LaO_1-xF_xFeAs
Physical Review B 81, (10), pp 104503/1-7 (2010)
(Reference: TH-2010-26)

Uimonen, A.-M., Khosravi, E., Stefanucci, G., Kurth, S., van Leeuwen, R., Gross, E. K. U.:
Real-time switching between multiple steady states in quantum transport
Journal of Physics: Conference Series 220, pp 012018/1-10 (2010)
(Reference: TH-2010-25)

Eich, F. G., Kurth, S., Proetto, C. R., Sharma, S., Gross, E. K. U.:
Non-collinear spin-spiral phase for the uniform electron gas within reduced-density-matrix-functional theory
Physical Review B 81, (2), pp 024430/1-9 (2010)
(Reference: TH-2010-24)

Jacob, D., Kotliar, G.:
Orbital selective and tunable Kondo effect of magnetic adatoms on graphene: Correlated electronic structure calculations
Physical Review B 82, (8), pp 085423/1-11 (2010)
(Reference: TH-2010-23)

Zacarias, A., Gross, E. K. U.:
Transport properties of chrysazine-type molecules
Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) 125, (3-6), pp 535-541 (2010)
(Reference: TH-2010-22)

Linke, M., Theisen, M., von Haimberger, T., El-Amine Madjet, M., Zacarias, A., Fidder, H., Heyne, K.:
Determining the three-dimensional electronic transition dipole moment orientation: Influence of an isomeric mixture
ChemPhysChem 11, (6), pp 1283-1288 (2010)
(Reference: TH-2010-21)

Oka, H., Ignatiev, P. A., Wedekind, S., Rodary, G., Niebergall, L., Stepanyuk, V. S., Sander, D., Kirschner, J.:
Spin-dependent quantum interference within a single magnetic nanostructure
Science 327, (5967), pp 843-846 (2010)
(Reference: TH-2010-20)

Tian, Z., Sander, D., Negulyaev, N. N., Stepanyuk, V. S., Kirschner, J.:
H- and O-induced compressive surface stress on Pt(111): Experiments and density functional theory calculations
Physical Review B 81, (11), pp 113407/1-4 (2010)
(Reference: TH-2010-19)

Sander, D., Meyerheim, H. L., Tian, Z., Niebergall, L., Negulyaev, N. N., Mohseni, K., Stepanyuk, V. S., Felici, R., Kirschner, J.:
Sequential population of adsorption sites driven by surface stress
Physical Review B 81, (15), pp 153403/1-4 (2010)
(Reference: TH-2010-18)

Tsysar, K. M., Bazhanov, D. I., Saletsky, A. M., Stepanyuk, V. S., Hergert, W.:
Effect of hydrogen impurity atoms and molecules on the atomic structure of palladium nanocontacts
Physics of the Solid State 52, (3), pp 641-648 (2010)
(Reference: TH-2010-17)

Hashemi, H., Hergert, W., Stepanyuk, V. S.:
Magnetic states of M-Fe wires (M=Sc-Ni) on vicinal Cu(111) from first principles
Physical Review B 81, (10), pp 1004418/1-6 (2010)
(Reference: TH-2010-16)

Heinrich, B. W., Iacovita, C., Rastei, M. V., Limot, L., Ignatiev, P. A., Stepanyuk, V. S., Bucher, J. P.:
A spin-selective approach for surface states at Co nanoislands
European Physical Journal B 75, (1), pp 49-56 (2010)
(Reference: TH-2010-15)

Negulyaev, N. N., Stepanyuk, O. V., Niebergall, L., Saletsky, A. M.:
Kinetic Monte Carlo study of self-organization of low-dimensional nanostructures on fcc (110) surfaces
Physica Status Solidi B 247, (5), pp 1039-1047 (2010)
(Reference: TH-2010-14)

Ignatiev, P. A., Negulyaev, N. N., Bazhanov, D. I., Stepanyuk, V. S.:
Doping of cobalt oxide with transition metal impurities: Ab initio study
Physical Review B 81, (23), pp 235123/1-8 (2010)
(Reference: TH-2010-13)

Hashemi, H., Fischer, G., Hergert, W., Stepanyuk, V. S.:
Magnetic properties of 3d transition metal wires on vicinal Cu(111) surface at finite temperature
Journal of Applied Physics 107, (9), pp 09E311/1-3 (2010)
(Reference: TH-2010-12)

Hashemi, H., Hergert, W., Stepanyuk, V. S.:
Magnetic properties of 3d transition metal chains on vicinal Cu(111) surface
Journal of Magnetism and Magnetic Materials 322, (9-12), pp 1296-1299 (2010)
(Reference: TH-2010-11)

Brovko, O. O., Stepanyuk, V. S.:
Probing the magnetism of nanostructures buried in metallic surfaces and their possible utilization
Physica Status Solidi B 247, (5), pp 1161-1169 (2010)
(Reference: TH-2010-10)

Fechner, M., Maznichenko, I. V., Ostanin, S., Ernst, A., Henk, J., Mertig, I.:
Ab initio study of magnetoelectricity in composite multiferroics
Physica Status Solidi B 247, (7), pp 1600-1607 (2010)
(Reference: TH-2010-09)

Zhang, Yu, Buczek, P., Sandratskii, L. M., Tang, W. X., Prokop, J., Tudosa, I., Peixoto, T. R. F., Zakeri Lori, K., Kirschner, J.:
Nonmonotonic thickness dependence of spin wave energy in ultrathin Fe films: Experiment and theory
Physical Review B 81, (9), pp 094438/1-5 (2010)
(Reference: TH-2010-08)

Chiang, C.-T., Winkelmann, A., Yu, P., Kirschner, J., Henk, J.:
Spin-orbit coupling in unoccupied quantum well states: Experiment and theory for Co/Cu(001)
Physical Review B 81, (11), pp 115130/1-9 (2010)
(Reference: TH-2010-07)

Mirhosseini, H., Ernst, A., Henk, J.:
Electron correlation beyond the local density approximation: self-interaction correction in gadolinium
Journal of Physics: Condensed Matter 22, (24), pp 245601/1-7 (2010)
(Reference: TH-2010-06)

Busayaporn, W., Torrelles, X., Wander, A., Tomic, S., Ernst, A., Montanari, B., Harrison, N. M., Bikondoa, O., Joumard, I., Zegenhagen, J., Cabailh, G., Thornton, G., Lindsay, R.:
Geometric structure of TiO₂(110)(1x1): Confirming experimental conclusions
Physical Review B 81, (15), pp 153404/1-4 (2010)
(Reference: TH-2010-05)

Buczek, P., Ernst, A., Sandratskii, L. M.:
Spin dynamics of half-metallic Co₂MnSi
Journal of Physics: Conference Series 200, (4), pp 042006/1-4 (2010)
(Reference: TH-2010-04)

Buczek, P., Ernst, A., Sandratskii, L. M., Bruno, P.:
The energies and life times of magnons in bulk iron and one-monolayer Fe film
Journal of Magnetism and Magnetic Materials 322, (9-12), pp 1396-1398 (2010)
(Reference: TH-2010-03)

Mirhosseini, H., Maznichenko, I. V., Abdelouahed, S., Ostanin, S., Ernst, A., Mertig, I., Henk, J.:
Toward a ferroelectric control of Rashba spin-orbit coupling: Bi on BaTiO₃(001) from first principles
Physical Review B 81, (7), pp 073406/1-4 (2010)
(Reference: TH-2010-02)

Parihar, S. S., Meyerheim, H. L., Mohseni, K., Ostanin, S., Ernst, A., Jedrecy, N., Felici, R., Kirschner, J.:
Structure of O/Fe(001)-p(1x1) studied by surface X-ray diffraction
Physical Review B 81, (7), pp 075428/1-6 (2010)
(Reference: TH-2010-01)

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