Publications

Di Pietro, P., Mitrano, M., Caramazza, S., Capitani, F., Lupi, S., Postorino, P., Ripanti, F., Joseph, B., Ehlen, N., Grüneis, A., Sanna, A., Profeta, G., Dore, P., Perucchi, A.

Emergent Dirac carriers across a pressure-induced Lifshitz transition in black phosphorus

Physical Review B 98, (16),pp 165111/1-7 (2018)

TH-2018-34

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Duffy, L. B., Frisk, A., Burn, D. M., Steinke, N.-J., Herrero-Martin, J., Ernst, A., van der Laan, G., Hesjedal, T.

Imposing long-range ferromagnetic order in rare-earth-doped magnetic topological-insulator heterostructures

Physical Review Materials 2, (5),pp 054201/1-9 (2018)

TH-2018-14

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Durrant, T. R., Hodgson, M. J. P., Ramsden, J. D., Godby, R. W.

Electron localisation in static and time-dependent one-dimensional model systems

Journal of Physics: Condensed Matter 30, (6),pp 065901/1-6 (2018)

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Eckart, S., Kunitski, M., Richter, M., Hartung, A., Rist, J., Trinter, F., Fehre, K., Schlott, N., Henrichs, K., Schmidt, L. Ph. H., Jahnke, T., Schöffler, M., Liu, K., Barth, I., Kaushal, J., Morales, F., Ivanov, M., Smirnova, O., Dörner, R.

Ultrafast preparation and detection of ring currents in single atoms

Nature Physics 14, (7),pp 701-704 (2018)

TH-2018-29

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Ehlen, N., Sanna, A., Senkovskiy, B. V., Petaccia, L., Fedorov, A. V., Profeta, G., Grüneis, A.

Direct observation of a surface resonance state and surface band inversion control in black phosphorus

Physical Review B 97, (4),pp 045143/1-10 (2018)

TH-2018-03

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Elmaslmane, A. R., Wetherell, J., Hodgson, M. J. P., McKenna, K. P., Godby, R. W.

Accuracy of electron densities obtained via Koopmans-compliant hybrid functionals

Physical Review Materials 2, (4),pp 040801(R)/1-5 (2018)

TH-2018-32

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Entel, P., Gruner, M. E., Fähler, S., Acet, M., Cahir, A., Arroyave, R., Sahoo, S., Duong, Th. C., Talapatra, A., Sandratskii, L. M., Mankowsky, S., Gottschall, T., Gutfleisch, O., Lazpita, P., Chernenko, V. A., Barandiaran, J. M., Solokovskiy, V. V., Buchelnikov, V. D.

Probing structural and magnetic instabilites and hysteresis in Heuslers by Density Functional Theory calculations

Physica Status Solidi B 255, (2),pp 1700296/1-14 (2018)

TH-2017-33

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Flores Livas, J. A., Grauzinyte, M., Boeri, L., Profeta, G., Sanna, A.

Superconductivity in doped polyethylene at high pressure

European Physical Journal B 91, (8),pp 179/1-9 (2018)

TH-2018-20

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Glavic, A., Summers, B., Dahal, A., Kline, J., Van Herck, W., Sukhov, A., Ernst, A., Singh, D. K.

Spin solid versus magnetic charge ordered state in artificial honeycomb lattice of connected elements

Advanced Science 5, (1),pp 1700856/1-7 (2018)

TH-2018-01

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Gunasekera, J., Dahal, A., Chen, Y., Rodriguez-Rivera, J. A., Harriger, L. W., Thomas, S., Heitmann, T. W., Dugaev, V., Ernst, A., Singh, D. K.

Quantum magnetic properties in perovskite with Anderson localized artificial spin-1/2

Advanced Science 5, (5),pp 1700978/1-8 (2018)

TH-2018-07

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Hervé, M., Balashov, T., Ernst, A., Wulfhekel, W.

Large tunneling anisotropic magnetoresistance mediated by surface states

Physical Review B 97, (22),pp 220406(R)/1-5 (2018)

TH-2018-19

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Hoffmann, M., Antonov, V. N., Bekenov, L. V., Kokko, K., Hergert, W., Ernst, A.

Variation of magnetic properties of Sr₂FeMoO₆ due to oxygen vacancies

Journal of Physics: Condensed Matter 30, (30),pp 305801/1-7 (2018)

TH-2018-17

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

Density functional theory of electron transfer beyond the Born-Oppenheimer approximation: Case study of LiF

Journal of Chemical Physics 148, (8),pp 084110/1-10 (2018)

TH-2018-09

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Liu, K., Ni, Hongcheng, Renziehausen, K., Rost, Jan-Michae, Barth, I.

Deformation of atomic p± orbitals in strong elliptically polarized laser fields: Ionization time drifts and spatial photoelectron separation

Physical Review Letters 121, (20),pp 203201/1-6 (2018)

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Maznichenko, I. V., Ostanin, S., Dugaev, V. K., Mertig, I., Ernst, A.

Impact of long-range disorder on the two-dimensional electron gas formation at a LaAlO₃/SrTiO₃ interface

Physical Review Materials 2, (7),pp 074003/1-13 (2018)

TH-2018-16

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Miyake, A., Sandratskii, L. M., Nakamura, A., Honda, F., Shimizu, Y., Li, D., Homma, Y., Tokunaga, M., Aoki, D.

Magnetic field effect on the chiral magnetism of noncentrosymmetric UPtGe: Experiment and theory

Physical Review B 98, (17),pp 174436/1-6 (2018)

TH-2018-35

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Moreno Araneda, M., Zacarias, A., Velasquez, L., Gonzalez, G., Alegria-Arcos, M., Gonzalez-Nilo, F., Gross, E. K. U.

Experimental and theoretical structural/spectroscopical correlation of enterobactin and catecholamide

Data in Brief 20, pp 2054-2064 (2018)

TH-2018-37

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Moreno, M., Zacarias, A., Porzel, A., Velasquez, L., Gonzalez, G., Alegria-Arcos, M., Gonzalez-Nilo, F., Gross, E. K. U.

IR and NMR spectroscopic correlation of enterobactin by DFT

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 198, pp 264-277 (2018)

TH-2018-10

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Park, Dae-Sung, Rees, Gregory J., Wang, Haiyuan, Rata, Diana, Morris, Andrew J., Maznichenko, Igor V., Ostanin, Sergey, Bhatnagar, Akash, Choi, Chel-Jong, Jonsson, R. D., Kaufmann, Kai, Kashtiban, Reza, Walker, Marc, Chiang, C.-T., Thorsteinsson, Einar B., Luo, Zhengdong, Park, In-Sung, Hanna, John V., Mertig, I., Doerr, Kathrin, Gislason, Haflidi P., McConville, Chris F.

Electromagnetic functionalization of wide-bandgap dielectric oxides by boron interstitial doping

Advanced Materials 30, (39),pp 1802025/1-9 (2018)

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

Reply to "Comment on 'Instability of the topological surface state in Bi₂Se₃ upon deposition of gold' "

Physical Review B 98, (13),pp 136202/1-4 (2018)

TH-2018-33

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Pototzky, K. J., Zacarias, A., Gross, E. K. U.

Controlling observables in normal, hybrid and Josephson junctions

Molecular Physics 116, (19-20),pp 2449-2460 (2018)

TH-2018-23

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Renziehausen, K., Barth, I.

Many-particle quantum hydrodynamics: Exact equations and pressure tensors

Progress of Theoretical and Experimental Physics 2018, (1),pp 013A05/1-44 (2018)

TH-2018-02

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

Accurate formula for the macroscopic polarization of strongly correlated materials

Journal of Physical Chemistry Letters 9, (24),pp 7045-7051 (2018)

TH-2018-36

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

Accurate formula for the macroscopic polarization of strongly correlated materials

The Journal of Physical Chemistry Letters(2018)

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Rybkin, A. G., Rybkina, A. A., Otrokov, M. M., Vilkov, O. Yu., Klimovskikh, I. I., Petukhov, A. E., Filianina, M. V., Voroshnin, V. Yu., Rusinov, I. P., Ernst, A., Arnau, A., Chulkov, E. V., Shikin, A. M.

Magneto-spin-orbit graphene: Interplay between exchange and spin-orbit couplings

Nano Letters 18, (3),pp 1564-1574 (2018)

TH-2018-08

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Sandratskii, L. M.

Dzyaloshinskii-Moriya interaction and magnetic anisotropies in uranium compounds

Physica B 536, (5),pp 512 - 515 (2018)

TH-2018-12

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Sanna, A., Davydov, A., Dewhurst, J. K., Sharma, S., Flores Livas, J. A.

Superconductivity in hydrogenated carbon nanostructures

European Physical Journal B 91, (8),pp 177/1-10 (2018)