| Spin-polarized electron transport across metal-organic molecules: a density functional theory approach |
A. Bagrets |
J. Chem. Theory Comput., 2013, vol.9 (6), pp.2801-2815 |
| Lowering of surface melting temperature in atomic clusters with a nearly closed shell structure |
A. Bagrets, R. Werner, F. Evers, G. Schneider, D. Schooss, and P. Wölfle |
Phys. Rev. B 81, 075435 (2010) |
| Anderson Transitions: Criticality, Symmetries, and Topologies |
A. D. Mirlin, F. Evers, I. V. Gornyi, and P. M. Ostrovsky |
International Journal of Modern Physics B 24, 1577 (2010) |
| Quantum size effects in the atomistic structure of armchair nanoribbons |
A. Dasgupta, S. Bera, F. Evers, and M.J. van Setten |
Phys. Rev. B 85, 125433 (2012) |
| Influence of conformation on conductance of biphenyl-dithiol single-molecule contacts |
A. Mishchenko, D. Vonlanthen, V. Meded, M. Buerkle, C. Li, I.V. Pobelov, A. Bagrets, J.K. Viljas, F. Pauly, F. Evers, M. Mayor, and T. Wandlowski |
Nano Letters 10, 156-163 (2010) |
| Electronic and magnetic properties of molecule-metal interfaces: Transition-metal phthalocyanines adsorbed on Ag(100) |
A. Mugarza, R. Robles, C. Krull, R. Korytár, N. Lorente, and P. Gambardella |
Phys. Rev. B 85, 155437 (2012) |
| Single molecule magnetoresistance with combined antiferromagnetic and ferromagnetic electrodes |
Alexei Bagrets, Stefan Schmaus, Ali Jaafar, Detlef Kramczynski, Toyo Kazu Yamada, Mebarek Alouani, Wulf Wulfhekel and Ferdinand Evers |
Nano Letters 12, 5131–5136 (2012) |
| Electron-vibration interaction in the presence of a switchable Kondo resonance realized in a molecular junction |
D. Rakhmilevitch, R. Korytar, A. Bagrets, F. Evers, O. Tal
|
Phys. Rev. Lett. 113, 236603 (2014)
|
| Spin-state dependent charge transport in arrays of gold nano particles and spin crossover molecules |
E. J. Devid, P. N. Marthinho, M. V. Kamalakar, I. Salitros, U. Prendergast, J.-F. Dayen, V.
Meded, T. Lemma, R. Gonzalez Prieto, F. Evers, T. E. Keyes, M. Ruben, B. Doudin, S.
J. van der Molen
|
ACS Nano, 2015, 9 , 4496
|
| Broadening of the derivative discontinuity in density functional theory |
F. Evers and P. Schmitteckert |
Phys. Chem. Chem. Phys. 13, 14417-14420 (2011) |
| Invariants of the single impurity Anderson model and implications for conduc- tance functionals |
F. Evers, P. Schmitteckert |
Euro. Phys. Lett. 103, 47012 (2013) |
| Transport properties of individual C60-molecules |
G. Geranton, C. Seiler, A. Bagrets, L. Venkataraman, F. Evers |
J. Chem. Phys. 139, 23 (2013)
|
| Self-consistent hydrodynamic approach to nanoplasmonics: Resonance shifts and spill-out effects |
G. Toscano, C. Rockstuhl, F. Evers, H. Xu, N. Mortensen, M. Wubs
|
Nature Communications 6, 7132
|
| Statistics of Conductances and Subleading Corrections to Scaling near the Integer Quantum Hall Transition |
H. Obuse, S. Bera, A. W. W. Ludwig, I. A. Gruzberg, F. Evers |
Euro. Phys. Lett. 104, 27014 (2013) |
| Finite Size Effects and Irrelevant Corrections to Scaling near the Integer Quantum Hall Transition |
Hideaki Obuse, Ilya A. Gruzberg, and Ferdinand Evers |
Phys. Rev. Lett. 109, 206804 (2012) |
| Wave function multifractality and dephasing at metal-insulator and quantum Hall transitions |
I.S. Burmistrov, S. Bera, F. Evers, I.V. Gornyi, A.D. Mirlin |
Annals of Physics 326 (2011) 1457–1478 |
| Ab initio simulations of scanning-tunneling-microscope images with embedding techniques and application to C58-dimers on Au(111) |
J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, and F. Evers |
Phys. Chem. Chem. Phys., (2013), vol.15, pp. 6684-6690, Advance Article
|
| Ab initio spin-flip conductance of hydrogenated graphene nanoreibbons: spin- orbit interaction and scattering with local impurity sites |
J. Wilhelm, M. Walz and F. Evers
|
submitted, arXiv: 1504.06720
|
| Ab initio quantum transport through armchair graphene nanoribbons: Streamlines in the current density |
J. Wilhelm, M. Walz, F. Evers
|
Phys. Rev. B 89, 195406 (2014)
|
| Kondo effect in binuclear metal-organic complexes with weakly interacting spins |
L. Yhang, A. Bagrets, D. Xenioti, R. Kor ́ytar, M. Schackert, T. Miyamachi, F. Schramm, O. Fuhr, R. Chandrasekar, M. Alouani, M. Ruben, W. Wulfhekel, F. Evers
|
Phys. Rev. B 91, 195424
|
| GW 100: Benchmarking GoWo for molecular systems |
M. J. van Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin,J. R. Deslippe, S. G. Louie, C. Yang, F. Weigend, J. B. Neaton, F. Evers, P. Rinke
|
submitted
|
| Simulations of Constant Current STM Images of Open-Shell Systems |
M. Kepenekian, R. Robles, R. Korytár, N. Lorente |
Imaging and Manipulating Mol.Orb.,3rd AtMol Workshop, Berlin 2012, Springer, pp 117 (2013) |
| Evaluation of conduction eigenchannels of an adatom probed by an STM tip |
M. Polok, D.V. Fedorov, A. Bagrets, P. Zahn, and I. Mertig |
Phys. Rev. B 83, 245426 (2011) |
| Current Patterns and Orbital Magnetism in Mesoscopic dc Transport |
M. Walz, J. Wilhelm, F. Evers
|
Phys.Rev.Lett. 113, 136602 (2014)
|
| The GW Method for Quantum Chemistry applications: Theory and Implementation |
M.J. van Setten, F. Weigend, and F. Evers |
J. Chem. Theory Comput. 9, 232 (2013) |
| Optical properties of sodium alanate, GW0 BSE calculations and thin film measurements |
M.J. van Setten, R. Gremaud, G. Brocks,
B. Dam, G. Kresse, and G.A. de Wijs |
Phys. Rev. B 83, 035422 (2011) |
| C58 on Au(111): A scanning tunneling microscopy study |
N. Bajales, S. Schmaus, T. Miyamashi, W. Wulfhekel, J. Wilhelm, M. Walz, M. Stendel, A. Bagrets, F. Evers, S. Ulas, B. Kern, A. Böttcher, and M. M. Kappes |
J. Chem. Phys. 138, 104703 (2013) |
| Impact of Electrode Band Structure and Relativistic Effects on Transport through Pyridine-Linked Single Molecule Junctions |
O. Adak, R. Koryt ́ar, A. Y. Joe, F. Evers L. Venkataraman
|
Nano Lett. 15, 3716
|
| Diffusion and criticality in undoped graphene with resonant scatterers |
P. M. Ostrovsky, M. Titov, S. Bera, I. V. Gornyi, A. D. Mirlin |
Phys. Rev. Lett. 105, 266803 (2010) |
| Charge susceptibility in Kondo systems at half filling: DMRG study |
P. Schmitteckert and F. Evers |
Annalen der Physik, 524 L1-L4 (2012) |
| Ab Initio Transport Calculations for Single-Atom Copper Junctions in the Presence of Hydrogen Chloride |
P. Schnäbele, R. Korytár, A. Bagrets, T. Roman, T. Schimmel, A. Groß, F. Evers
|
J. Phys. Chem. C
|
| Transport calculations based on density functional theory, Friedel's sum rule, and the Kondo effect |
P. Tröster, P. Schmitteckert, and F. Evers |
Phys. Rev. B 85, 115409 (2012) |
| Signature of the Dirac cone in the properties of linear oligoacenes |
R. Korytár, D. Xenioti, P. Schmitteckert, M. Alouani, F. Evers
|
Nat. Commun. 5, 5000 (2014)
|
| Spin locking at the apex of nano-scale platinum tips |
R. Korytár, F. Evers |
Surface Science, Dec 2013, Vol.618, pp.49-52
|
| Many-body effects in magnetic inelastic electron tunneling spectroscopy |
R. Korytár, N. Lorente, and J.-P. Gauyacq |
Phys. Rev. B 85, 125434 (2012) |
| Probing Majorana modes in the tunneling spectra of a resonant level |
R. Korytár, P. Schmitteckert |
J. Phys.: Condens. Matter 25 475304 |
| Exact Exponents for the Spin Quantum Hall Transition in the Presence of Multiple Edge Channels |
Roberto Bondesan, Ilya A. Gruzberg, Jesper L. Jacobsen, Hideaki Obuse, Hubert Saleur |
Phys. Rev. Lett. 108, 126801 (2012) |
| Elastic properties of graphene flakes: boundary effects and lattice vibrations |
S. Bera, A. Arnold, F. Evers, R. Narayanan, P. Woelfle |
Phys. Rev. B 82, 195445 (2010) |
| Plasmons in Molecules |
S. Bernadotte, F. Evers, C. Jacob |
J. Phys. Chem. C. 117, 1863 (2013) |
| Giant magnetoresistance through a single molecule |
S. Schmaus, A. Bagrets, Y. Nahas, T. K. Yamada, A. Bork, M. Bowen, E. Beaurepaire, F. Evers, and W. Wulfhekel |
Nature Nanotechnology 6, 185-189 (2011) |
| Conductance saturation in highly conductive molecular junctions |
T. Yelin, R. Koryt ́ar, N. Sukenik, R. Vardimon, B. Kumar, C. Nuckolls, F. Evers, O. Tal
|
submitted
|
| Atomically Wired Molecular Junctions: Connecting a Single Organic Molecule by Chains of Metal Atoms |
T. Yelin, R. Vardimon, N. Kuritz, R. Korytár, A. Bagrets, F. Evers, L. Kronik, O. Tal |
Nano Letters 2013 13 (5), ppn.1956-1961
|
| Density of States in Graphene with Vacancies: Midgap Power Law and Frozen Multifractality |
V. Häfner, J. Schindler, N. Weik, T. Mayer, S. Balakrishnan, R. Narayanan, S. Bera, F. Evers
|
Phys. Rev. Lett. 113, 186802 (2014)
|
| Electrical control over the Fe(II) spin crossover in a single molecule: Theory and experiment |
V. Meded, A. Bagrets, K. Fink, R. Chandrasekar, M. Ruben, F. Evers, A. Bernand-Mantel, J. S. Seldenthuis, A. Beukman, and H. S. J. van der Zant |
Phys. Rev. B 83, 245415 (2011) |
| Exchange processes in the contact formation of Pb electrodes |
XH. Lin, A. Dasgupta, FQ. Xie, T. Schimmel, F. Evers, A. Gross
|
E.Chim. Acta 140, S.I.: SI p. 505-510 (2014)
|
| Binding in alkali and alkaline-earth tetrahydroborates: Special position of magnesium tetrahydroborate |
Z. Łodziana and M.J. van Setten |
Phys. Rev. B 81, 024117 (2010) |