Publications

Klimovshikh, I. I., Shikin, A. M., Otrokov, M. M., Ernst, A., Rusinov, I. P., Tereshchenko, O. E., Golyashov, V. A., Sanchez-Barriga, J., Varykhalov, A. Yu., Rader, O., Kokh, K. A., Chulkov, E. V.

Giant magnetic band gap in the Rashba-split surface state of vanadium-doped BiTel: A combined photoemission and ab initio study

Scientific Reports 7, pp 3353/1-8 (2017)

TH-2017-20

PDF-File

Krieger, J. A., Chang, C.-Z., Husanu, M.-A., Sostina, D., Ernst, A., Otrokov, M. M., Prokscha, T., Schmitt, T., Suter, A., Garcia Vergniory, M., Chulkov, E. V., Moodera, J. S., Strocov, V. N., Salman, Z.

Spectroscopic perspective on the interplay between electronic and magnetic properties of magnetically doped topological insulators

Physical Review B 96, (18),pp 184402/1-11 (2017)

TH-2017-35

PDF-File

Krieger, K., Elliott, P., Singh, N., Dewhurst, J. K., Gross, E. K. U., Sharma, S.

Ultrafast demagnetization in bulk versus thin films: An ab initio study

Journal of Physics: Condensed Matter 29, (22),pp 224001/1-7 (2017)

TH-2017-16

PDF-File

Liu, K., Barth, I.

Identifying the tunneling site in strong-field ionization of H⁺₂

Physical Review Letters 119, (24),pp 243204/1-5 (2017)

TH-2017-48

PDF-File

Liu, K., Renziehausen, K., Barth, I.

Producing spin-polarized photoelectrons by using the momentum gate in strong-field ionization experiments

Physical Review A 95, (6),pp 063410/1-7 (2017)

TH-2017-44

PDF-File

Maryenko, D., Mishchenko, A. S., Bahramy, M. S., Ernst, A., Falson, J., Kozuka, Y., Tsukazaki, A., Nagaosa, N., Kawasaki, M.

Observation of anomalous Hall effect in a non-magnetic two-dimensional electron system

Nature Communications 8, (14),pp 14777/1-7 (2017)

TH-2017-11

PDF-File

Matsushita, Y.-I., Madjarova, G., Dewhurst, J. K., Shallcross, S., Felser, C., Sharma, S., Gross, E. K. U.

Large magnetocrystalline anisotropy in tetragonally distorted Heuslers: A systematic study

Journal of Physics D 50, (9),pp 095002/1-8 (2017)

TH-2017-03

PDF-File

Matsushita, Y.-I., Madzharova, G., Flores Livas, J. A., Dewhurst, J. K., Felser, C., Sharma, S., Gross, E. K. U.

L1₀ stacked binaries as candidates for hard-magnets: FePt, MnAl and MnGa

Annalen der Physik 529, (8),pp 1600412/1-6 (2017)

TH-2017-36

PDF-File

Min, S.-K., Agostini, F., Tavernelli, I., Gross, E. K. U.

Ab-initio nonadiabatic dynamics with coupled trajectories: A rigorous approach to quantum (de)coherence

Journal of Physical Chemistry Letters 8, (13),pp 3048-3055 (2017)

TH-2017-23

PDF-File

Monni, M., Bernardini, F., Sanna, A., Profeta, G., Massidda, S.

Origin of the critical temperature discontinuity in superconducting sulfur under high pressure

Physical Review B 95, (6),pp 064516/1-5 (2017)

TH-2017-06

PDF-File

Otrokov, M. M., Ernst, A., Mohseni, K., Fulara, H., Roy, S., Castro, G. R., Rubio-Zuazo, J., Ryabishchenkova, A. G., Kokh, K. A., Tereshchenko, O. E., Aliev, Z. S., Babanly, M. B., Chulkov, E. V., Meyerheim, H. L., Parkin, S. S. P.

Geometric and electronic structure of the Cs-doped Bi₂Se₃(0001) surface

Physical Review B 95, (20),pp 205429/1-9 (2017)

TH-2017-18

PDF-File

Otrokov, M. M., Menshchikova, T. V., Garcia Vergniory, M., Rusinov, I. P., Vyazovskaya, A. Yu., Koroteev, Y. M., Bihlmayer, G., Ernst, A., Echenique, P. M., Arnau, A., Chulkov, E. V.

Highly-ordered wide bandgap materials for quantized anomalous Hall and magnetoelectric effects

2D Materials 4, (2),pp 025082/1-8 (2017)

TH-2017-15

PDF-File

Perdew, J. P., Yang, W., Burke, K., Yang, Z., Gross, E. K. U., Scheffler, M., Scuseria, G. E., Henderson, Th. M., Zhang, I. Y., Ruzsinsky, A., Peng, H., Sun, J., Trushin, E., Görling, A.

Understanding band gaps of solids in generalized Kohn-Sham theory

Proceedings of the National Academy of Sciences 114, (11),pp 2801-2806 (2017)

TH-2017-10

PDF-File

Polyakov, A., Tusche, C., Ellguth, M., Crozier, E. D., Mohseni, K., Otrokov, M. M., Zubizarreta Iriarte, X., Vergniory, M. G., Geilhufe, M., Chulkov, E. V., Ernst, A., Meyerheim, H. L., Parkin, S. S. P.

Instability of the topological surface state in Bi₂Se₃ upon deposition of gold

Physical Review B 95, (18),pp 180202/1-5 (2017)

TH-2017-17

PDF-File

Polyakov, O. P., Korobova, J. G., Stepanyuk, O. V., Bazhanov, D. I.

Impact of surface strain on the spin dynamics of deposited Co nanowires

Journal of Applied Physics 121, (1),pp 014306/1-9 (2017)

TH-2017-09

PDF-File

Profeta, G. and Tresca, C., Sanna, A.

Electron-phonon coupling in two-dimensional superconductors: Doped graphene and phosphorene

GraphITA. Selected papers from the Workshop on Synthesis, Characterization and Technological Exploitation of Graphene and 2D Materials beyond Graphene, Carbon Nanostructures(Eds.) Morandi, V. and Ottaviano, L.,Springer International Publishing AG, Cham, Switzerland 2017

TH-2017-31

PDF-File

Qin, H. J., Zakeri Lori, Kh., Ernst, A., Kirschner, J.

Temperature dependence of magnetic excitations: Terahertz magnons above the Curie temperature

Physical Review Letters 118, (12),pp 127203/1-5 (2017)

TH-2017-12

PDF-File

Renziehausen, K., Barth, I.

About the proof that the s-wave functions of the hydrogen atom obey the Ehrenfest equation of motion

Journal of Physics: Conference Series 896, (1),pp 012007/1-4 (2017)

TH-2017-46

PDF-File

Requist, R., Proetto, C. R., Gross, E. K. U.

Asymptotic analysis of the Berry curvature in the E ⊗ e Jahn-Teller model

Physical Review A 96, (6),pp 062503/1-11 (2017)

TH-2017-38

PDF-File

Requist, R. T., Gross, E. K. U.

Was fallende Katzen für die Dichtefunktionaltheorie bedeuten

Jahrbuch 2016/2017 der Max-Planck-Gesellschaftpp 1-7 (2017)

TH-2017-26

PDF-File

Sandratskii, L. M.

Insight into the Dzyaloshinskii-Moriya interaction through first-principles study of chiral magnetic structures

Physical Review B 96, (2),pp 024450/1-13 (2017)

TH-2017-27

PDF-File

Sanna, A.

Introduction to superconducting density functional theory

The Physics of Correlated Insulators, Metals, and Superconductors. Lecture Notes of the Autumns School on Correlated Electrons 2017, Schriften des Forschungszentrums Jülich. Reihe Modeling and Simulation. 7, (Eds.) Parini, E., Koch, E., Scalettar, R. and Martin, R.,Forschungszentrum Jülich GmbH, Institute for Advanced Simulation, Jülich, Germany 2017

TH-2017-32

PDF-File

Scherrer, A., Agostini, F., Sebastiani, D., Gross, E. K. U., Vuilleumier, R.

On the mass of atoms in molecules: Beyond the Born-Oppenheimer approximation

Physical Review X 7, (3),pp 031035/1-23 (2017)

TH-2017-30

PDF-File

Schild, A., Gross, E. K. U.

Exact single-electron approach to the dynamics of molecules in strong laser fields

Physical Review Letters 118, (16),pp 163202/1-5 (2017)

TH-2017-14

PDF-File

Shallcross, S., Sharma, S., Weber, H. B.

Anomalous Dirac point transport due to extended defects in bilayer graphene

Nature Communications 8, pp 342/1-8 (2017)

TH-2017-28

PDF-File

Shokeen, V., Sanchez Piaia, M., Bigot, J.-Y., Müller, T., Elliott, P., Dewhurst, J. K., Sharma, S., Gross, E. K. U.

Spin flips versus spin transport in nonthermal electrons excited by ultrashort optical pulses in transition metals

Physical Review Letters 119, (10),pp 107203/1-5 (2017)

TH-2017-29

PDF-File

Sivkov, I., Bazhanov, D. I., Stepanyuk, V. S.

Switching of spins and entanglement in surface-supported antiferromagnetic chains

Scientific Reports 7, pp 2759/1-10 (2017)

TH-2017-19

PDF-File

Sivkov, I., Brovko, O. O., Rungger, I., Stepanyuk, V. S.

Gate control of spin-polarized conductance in alloyed transitional metal nanocontacts

Physical Review B 95, (10),pp 104405/1-7 (2017)

TH-2017-07

PDF-File

Takahashi, Y., Miyamachi, T., Nakashima, S., Kawamura, N., Takagi, Y., Uozumi, M., Antonov, V. N., Tokoyama, T., Ernst, A., Komori, F.

Thickness-dependent electronic and magnetic properties of γ′-Fe₄N atomic layers on Cu(001)

Physical Review B 95, (22),pp 224417/1-8 (2017)

TH-2017-21

PDF-File

Tao, K., Liu, P., Guo, Q., Shen, L., Xue, D., Polyakov, O. P., Stepanyuk, V. S.

Engineering magnetic anisotropy and magnetization switching in multilayers by strain

Physical Chemistry Chemical Physics 19, (5),pp 4125-4130 (2017)

TH-2017-08

PDF-File

Tsatrafyllis, N., Kominis, I. K., Gonoskov, I. A., Tzallas, P.

High-order harmonics measured by the photon statistics of the infrared driving-field exiting the atomic medium

Nature Communications 8, pp 15170/1-6 (2017)

TH-2017-43

PDF-File

Wätzel, J., Barth, I., Berakdar, J.

Ultrafast optically induced resonant and non-resonant current generation in atoms and nanostructures: role of the photons orbital angular momentum

Journal of Modern Optics 64, (10-11),pp 1088-1095 (2017)

TH-2017-47

PDF-File

Wysocki, A. L., Valmispild, V. N., Kutepov, A., Sharma, S., Dewhurst, J. K., Gross, E. K. U., Lichtenstein, A. I., Antropov, V. P.

Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals

Physical Review B 96, (18),pp 184418/1-9 (2017)

TH-2017-37

PDF-File

Xu, P., Han, W., Rice, P. M., Jeong, J., Samant, M. G., Mohseni, K., Meyerheim, H. L., Ostanin, S., Maznichenko, I. V., Mertig, I., Gross, E. K. U., Ernst, A., Parkin, S. S. P.

Reversible formation of 2D electron gas at the LaFeO₃/SrTiO₃ interface via control of oxygen vacancies

Advanced Materials 29, pp 1604447/1-8 (2017)

TH-2017-02

PDF-File