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Relative second bounded cohomology of free groups

Pagliantini, Cristina ; Rolli, Pascal

In: Geometriae Dedicata, 2015, vol. 175, no. 1, p. 267-280

Influence of jet aeration on pressures around a block embedded in a plunge pool bottom

Duarte, Rafael ; Schleiss, Anton ; Pinheiro, António

In: Environmental Fluid Mechanics, 2015, vol. 15, no. 3, p. 673-693

Free energies for rare events: Temperature accelerated MD and MC

Meloni, S. ; Ciccotti, G.

In: The European Physical Journal Special Topics, 2015, vol. 224, no. 12, p. 2389-2407

Concanavalin A electrochemical sensor based on the surface blocking principle at an ion-selective polymeric membrane

Pawlak, Marcin ; Mistlberger, Günter ; Bakker, Eric

In: Microchimica Acta, 2015, vol. 182, no. 1-2, p. 129-137

Unveiling the complete dispersion of the giant Rashba split surface states of ferroelectric α−GeTe(111) by alkali doping

Kremer, Geoffroy ; Jaouen, Thomas ; Salzmann, Björn ; Nicolaï, L. ; Rumo, Maxime ; Nicholson, Christopher W. ; Hildebrand, Baptiste ; Dil, J. Hugo ; Springholz, G. ; Krempasky, Juraj ; Monney, Claude

In: Physical Review Research, 2020, vol. 2, no. 3, p. 033115

α−GeTe(111) is a noncentrosymmetric ferroelectric material for which a strong spin- orbit interaction gives rise to giant Rashba split states in the bulk and at the surface. The detailed dispersions of the surface states inside the bulk band gap remains an open question because they are located in the unoccupied part of the electronic structure, making them inaccessible to static...

Nonthermal excitonic condensation near a spin-state transition

Werner, Philipp ; Murakami, Yuta

In: Physical Review B, 2020, vol. 102, no. 2020-24, p. 241103

Recent experiments demonstrate the induction of long-range order in correlated electron systems via external perturbations, which calls for a better understanding of nonthermal ordered states and nonequilibrium symmetry breaking. Here, we reveal a mechanism based on entropy cooling and entropy trapping in a strongly correlated multiorbital system. We consider a two-orbital Hubbard model with...

High-harmonic generation in spin-orbit coupled systems

Lysne, Markus ; Murakami, Yuta ; Schüler, Michael ; Werner, Philipp

In: Physical Review B, 2020, vol. 102, no. 8, p. 081121

We study high-harmonic generation in two-dimensional electron systems with Rashba and Dresselhaus spin-orbit coupling and derive harmonic generation selection rules with the help of group theory. Based on the band structures of these minimal models and explicit simulations we reveal how the spin-orbit parameters control the cutoff energy in the high-harmonic spectrum. We also show that the...

Electronic structure and photoluminescence properties of Eu(η9-C9H9)2

Ramanantoanina, Harry ; Merzoud, Lynda ; Muya, Jules Tshishimbi ; Chermette, Henry ; Daul, Claude

In: The Journal of Physical Chemistry A, 2020, vol. 124, no. 1, p. 152–164

The electronic structure of Eu2+ compounds results from a complex combination of strongly correlated electrons and relativistic effects as well as weak ligand–field interaction. There is tremendous interest in calculating the electronic structure as nowadays the Eu2+ ion is becoming more and more crucial, for instance, in lighting technologies. Recently, interest in semiempirical methods to...

Exploring the free-energy landscape of carbohydrate-protein complexes: development and validation of scoring functions considering the binding-site topology

Eid, Sameh ; Saleh, Noureldin ; Zalewski, Adam ; Vedani, Angelo

In: Journal of Computer-Aided Molecular Design, 2014, vol. 28, no. 12, p. 1191-1204

How to choose the frozen density in Frozen-Density Embedding Theory-based numerical simulations of local excitations?

Humbert-Droz, Marie ; Zhou, Xiuwen ; Shedge, Sapana ; Wesolowski, Tomasz

In: Theoretical Chemistry Accounts, 2014, vol. 133, no. 1, p. 1-20