Dissipation-Time Uncertainty Relation

in Physical Review Letters (2020), 125(12), 120604

Archetypal Soft-Mode-Driven Antipolar Transition in Francisite Cu3Bi(SeO3)(2)O2Cl

in PHYSICAL REVIEW LETTERS (2020), 124(9), 097603-6

Model materials are precious test cases for elementary theories and provide building blocks for the understanding of more complex cases. Here, we describe the lattice dynamics of the structural phase ... [more ▼]

Model materials are precious test cases for elementary theories and provide building blocks for the understanding of more complex cases. Here, we describe the lattice dynamics of the structural phase transition in francisite Cu3Bi(SeO3)(2)O2Cl at 115 K and show that it provides a rare archetype of a transition driven by a soft antipolar phonon mode. In the high-symmetry phase at high temperatures, the soft mode is found at (0,0,0.5) at the Brillouin zone boundary and is measured by inelastic x-ray scattering and thermal diffuse scattering. In the low-symmetry phase, this soft-mode is folded back onto the center of the Brillouin zone as a result of the doubling of the unit cell, and appears as a fully symmetric mode that can be tracked by Raman spectroscopy. On both sides of the transition, the mode energy squared follows a linear behavior over a large temperature range. First-principles calculations reveal that, surprisingly, the flat phonon band calculated for the high-symmetry phase seems incompatible with the displacive character found experimentally. We discuss this unusual behavior in the context of an ideal Kittel model of an antiferroelectric transition. [less ▲]

Work Statistics across a Quantum Phase Transition

in Physical Review Letters (2020), 124(17), 170603

Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal Functionals

in Physical Review Letters (2020)

Entropy Production in Open Systems: The Predominant Role of Intraenvironment Correlations

in PHYSICAL REVIEW LETTERS (2019)

Mono-to-multilayer transition in growing bacterial colonies

in Physical Review Letters (2019), 123(17-25),

The transition from monolayers to multilayered structures in bacterial colonies is a fundamental step in biofilm development. Observed across different morphotypes and species, this transition is ... [more ▼]

The transition from monolayers to multilayered structures in bacterial colonies is a fundamental step in biofilm development. Observed across different morphotypes and species, this transition is triggered within freely growing bacterial microcolonies comprising a few hundred cells. Using a combination of numerical simulations and analytical modeling, here we demonstrate that this transition originates from the competition between growth-induced in-plane active stresses and vertical restoring forces, due to the cell-substrate interactions. Using a simple chainlike colony of laterally confined cells, we show that the transition sets when individual cells become unstable to rotations; thus it is localized and mechanically deterministic. Asynchronous cell division renders the process stochastic, so that all the critical parameters that control the onset of the transition are continuously distributed random variables. Here we demonstrate that the occurrence of the first division in the colony can be approximated as a Poisson process in the limit of large cell numbers. This allows us to approximately calculate the probability distribution function of the position and time associated with the first extrusion. The rate of such a Poisson process can be identified as the order parameter of the transition, thus highlighting its mixed deterministic-stochastic nature. [less ▲]

Electric-Field Control of Magnetization, Jahn-Teller Distortion, and Orbital Ordering in Ferroelectric Ferromagnets

in PHYSICAL REVIEW LETTERS (2019), 122(24),

Exciton-Phonon Coupling in the Ultraviolet Absorption and Emission Spectra of Bulk Hexagonal Boron Nitride

in PHYSICAL REVIEW LETTERS (2019), 122(18), 187401-6

We present an ab initio method to calculate phonon-assisted absorption and emission spectra in the presence of strong excitonic effects. We apply the method to bulk hexagonal BN, which has an indirect ... [more ▼]

We present an ab initio method to calculate phonon-assisted absorption and emission spectra in the presence of strong excitonic effects. We apply the method to bulk hexagonal BN, which has an indirect band gap and is known for its strong luminescence in the UV range. We first analyze the excitons at the wave vector (q) over bar of the indirect gap. The coupling of these excitons with the various phonon modes at (q) over bar is expressed in terms of a product of the mean square displacement of the atoms and the second derivative of the optical response function with respect to atomic displacement along the phonon eigenvectors. The derivatives are calculated numerically with a finite difference scheme in a supercell commensurate with (q) over bar. We use detailed balance arguments to obtain the intensity ratio between emission and absorption processes. Our results explain recent luminescence experiments and reveal the exciton-phonon coupling channels responsible for the emission lines. [less ▲]

Statistics of Colloidal Suspensions Stirred by Microswimmers

in Physical Review Letters (2019), 122(14),

We present a statistical analysis of the experimental trajectories of colloids in a dilute suspension of the green algae Chlamydomonas reinhardtii. The measured probability density function (pdf) of the ... [more ▼]

We present a statistical analysis of the experimental trajectories of colloids in a dilute suspension of the green algae Chlamydomonas reinhardtii. The measured probability density function (pdf) of the displacements of colloids covers 7 orders of magnitude. The pdfs are characterized by non-Gaussian tails for intermediate time intervals, but nevertheless they collapse when scaled with their standard deviation. This diffusive scaling breaks down for longer time intervals and the pdf becomes Gaussian. However, the mean squared displacements of tracer positions are linear over the complete measurement time interval. Experiments are performed for various tracer diameters, swimmer concentrations, and mean swimmer velocities. This allows a rigorous comparison with several theoretical models. We can exclude a description based on an effective temperature and other mean field approaches that describe the irregular motion as a sum of the fluctuating far field of many microswimmers. The data are best described by the microscopic model by J.-L. Thiffeault, Distribution of particle displacements due to swimming microorganisms, Phys. Rev. E 92, 023023 (2015). [less ▲]

Information Thermodynamics of Turing Patterns

in Physical Review Letters (2018)

e set up a rigorous thermodynamic description of reaction-diffusion systems driven out of equilibrium by time-dependent space-distributed chemostats. Building on the assumption of local equilibrium ... [more ▼]

e set up a rigorous thermodynamic description of reaction-diffusion systems driven out of equilibrium by time-dependent space-distributed chemostats. Building on the assumption of local equilibrium, nonequilibrium thermodynamic potentials are constructed exploiting the symmetries of the chemical network topology. It is shown that the canonical (resp. semigrand canonical) nonequilibrium free energy works as a Lyapunov function in the relaxation to equilibrium of a closed (resp. open) system and its variation provides the minimum amount of work needed to manipulate the species concentrations. The theory is used to study analytically the Turing pattern formation in a prototypical reaction-diffusion system, the one-dimensional Brusselator model, and to classify it as a genuine thermodynamic nonequilibrium phase transition. [less ▲]