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Simulation of Droplets Collisions Using Two-Phase Entropic Lattice Boltzmann Method

Mazloomi Moqaddam, A. ; Chikatamarla, S. ; Karlin, I.

In: Journal of Statistical Physics, 2015, vol. 161, no. 6, p. 1420-1433

Exciting Wide NMR Spectra of Static Solid Samples with Weak Radiofrequency Fields

Carnevale, Diego ; Chinthalapalli, Srinivas ; Bodenhausen, Geoffrey

In: Zeitschrift für Physikalische Chemie, 2017, vol. 231, no. 3, p. 527-543

Collision avoidance for aerial vehicles in multi-agent scenarios

Alonso-Mora, Javier ; Naegeli, Tobias ; Siegwart, Roland ; Beardsley, Paul

In: Autonomous Robots, 2015, vol. 39, no. 1, p. 101-121

Quantum description of a rotating and vibrating molecule

Brechet, Sylvain ; Reuse, François ; Maschke, Klaus ; Ansermet, Jean-Philippe

In: The European Physical Journal D, 2015, vol. 69, no. 7, p. 1-28

Ultrafast coupled charge and spin dynamics in strongly correlated NiO

Gillmeister, Konrad ; Golež, Denis ; Chiang, Cheng-Tien ; Bittner, Nikolaj ; Pavlyukh, Yaroslav ; Berakdar, Jamal ; Werner, Philipp ; Widdra, Wolf

In: Nature Communications, 2020, vol. 11, no. 1, p. 4095

Charge excitations across an electronic band gap play an important role in opto- electronics and light harvesting. In contrast to conventional semiconductors, studies of above-band-gap photoexcitations in strongly correlated materials are still in their infancy. Here we reveal the ultrafast dynamics controlled by Hund’s physics in strongly correlated photoexcited NiO. By combining...

Resonance raman optical activity shows unusual structural sensitivity for systems in resonance with multiple excited states: vitamin B12 case

Machalska, Ewa ; Zajac, Grzegorz ; Gruca, Anna ; Zobi, Fabio ; Baranska, Malgorzata ; Kaczor, Agnieszka

In: The Journal of Physical Chemistry Letters, 2020, vol. 11, no. 13, p. 5037–5043

In this work, cobalamins with different upper axial substituents and a cobalamin derivative with a ring modification were studied using chiroptical spectroscopies, in particular resonance Raman optical activity (RROA), to shed light on the influence of structural modifications on RROA spectra in these strongly chiral systems in resonance with multiple excited states at 532 nm excitation. We...

Signatures of bosonic excitations in high-harmonic spectra of Mott insulators

Lysne, Markus ; Murakami, Yuta ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 19, p. 195139

The high-harmonic spectrum of the Mott insulating Hubbard model has recently been shown to exhibit plateau structures with cutoff energies determined by nth-nearest- neighbor doublon-holon recombination processes. The spectrum thus allows one to extract the on-site repulsion U. Here, we consider generalizations of the single-band Hubbard model and discuss the signatures of bosonic excitations...

Adsorption-induced kondo effect in metal-free phthalocyanine on Ag(111)

Granet, J. ; Sicot, M. ; Gerber, I. C. ; Kremer, Geoffroy ; Pierron, T. ; Kierren, B. ; Moreau, L. ; Fagot-Revurat, Y. ; Lamare, S. ; Chérioux, F. ; Malterre, D.

In: The Journal of Physical Chemistry C, 2020, vol. 124, no. 19, p. 10441–10452

We report on the formation of a two-dimensional supramolecular Kondo lattice made of organic molecules comprising only C, N, and H atoms, namely metal-free phthalocyanines 2HPc (C32H18N8), adsorbed on a Ag(111) surface. Low-temperature scanning tunneling microscopy/spectroscopy (LT-STM/STS), ultraviolet photoemission spectroscopy (UPS), and density functional theory (DFT) are used to...

Collective modes in excitonic insulators: Effects of electron-phonon coupling and signatures in the optical response

Murakami, Yuta ; Golež, Denis ; Kaneko, Tatsuya ; Koga, Akihisa ; Millis, Andrew J. ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 19, p. 195118

We consider a two-band spinless model describing an excitonic insulator (EI) on the two-dimensional square lattice with anisotropic hopping parameters and electron-phonon (el-ph) coupling, inspired by the EI candidate Ta2NiSe5. We systematically study the nature of the collective excitations in the ordered phase which originates from the interband Coulomb interaction and the el-ph coupling. ...

Photoenhanced excitonic correlations in a Mott insulator with nonlocal interactions

Bittner, Nikolaj ; Golež, Denis ; Eckstein, Martin ; Werner, Philipp

In: Physical Review B, 2020, vol. 101, no. 8, p. 085127

We investigate the effect of nonlocal interactions on the photodoped Mott insulating state of the two-dimensional Hubbard model using a nonequilibrium generalization of the dynamical cluster approximation. In particular, we compare the situation where the excitonic states are lying within the continuum of doublon-holon excitations to a setup where the excitons appear within the Mott gap. In...