Related papers: On the vibron dressing in the $\alpha$--helicoidal…
By using a propagation scheme for current matrices and an auxiliary mode expansion method, we investigate the transient dynamics of a single molecular junction coupled with a vibrational mode. Our approach is based on the Anderson-Holstein…
Transport through a molecular device coupled to a vibrational mode is studied. By mapping it to the Yu-Anderson model in the large contact broadening limit, the zero bias electric and heat conductances are evaluated non-perturbatively.…
The incredible thermo-mechanical properties of biological materials arise from the microscopic scale due to a complex hierarchical mechanism, regulated by microinstabilities at the molecular level. The description of such complex structures…
Amorphous solids tend to present an abundance of soft elastic modes, which diminish their transport properties, generate heterogeneities in their elastic response, and affect non-linear processes like thermal activation of plasticity. This…
Temperature influences the performance of two-dimensional materials in optoelectronic devices. Indeed, the optical characterization of these materials is usually realized at room temperature. Nevertheless most {\it ab-initio} studies are…
The vibrational frequency of hydrogen molecules has been observed to increase strongly with He concentration in helium hydrogen fluid mixtures. This has been associated with He-H interactions, either directly through chemical bonding, or…
Luminescence properties of colloidal quantum dots have found applications in imaging, light-sources, and displays. Despite wide interest, several experimental observations from these quantum dots, such as the short lifetime on the scale of…
We present an ab-initio study of the temperature dependent elastic constants of BAs, a semiconductor that exhibits ultra-high thermal conductivity and is under investigation for thermal management in electronics. We test the consistency of…
We follow the evolution of dressed coupled mini-bands as a function of an AC field intensity, non perturbatively, for a wide field frequency range. High and low frequency limits are characterized by two different dynamic localization…
We propose a non-thermal mechanism of weak microwave field impact on a nerve fiber. It is shown that in the range of about 30 - 300 GHz there are strongly pronounced resonances associated with the excitation of ultrasonic vibrations in the…
The soft character of organic materials leads to strong coupling between molecular nuclear and electronic dynamics. This coupling opens the way to control charge transport in organic electronic devices by inducing molecular vibrational…
Various charge migration mechanisms in the DNA are studied within the framework of the Peyrard-Bishop-Holstein model which has been widely used to address charge dynamics in this macromolecule. To analyze these mechanisms we consider…
Electron coupling to intra- and inter-molecular vibrational modes is investigated in models appropriate to single crystal organic semiconductors, such as oligoacenes. Focus is on spectral and transport properties of these systems beyond…
We show how the coupling between the phonons and electrons in a strongly correlated metal can result in phonon frequencies which have a non-monotonic temperature dependence. Dynamical mean-field theory is used to study the Hubbard-Holstein…
The features of phonon spectra and their effect on the vibrational heat capacity of linear chains of inert gas atoms adsorbed onto a substrate, which is the surface of nanotubes bound to a nanobundle. The influence of the substrate results…
Based entirely upon actual experimental observations on electron-phonon coupling, we develop a theoretical framework to show that the lowest energy band of the Fenna- Matthews-Olson (FMO) complex exhibits observable features due to the…
We combine experiments and theory to investigate the dynamics and orientational fluctuations of ferromagnetic microellipsoids that form a ribbon-like structure due to attractive dipolar forces. When assembled in the ribbon, the ellipsoids…
We present a model in which the immediate environment of a bistable system is a molecular chain which in turn is connected to a thermal environment of the Langevin form. The molecular chain consists of masses connected by harmonic or by…
We investigate spin-$\frac{1}{2}$ anisotropic model of a linear chain of triangles with competing ferro- and antiferromagnetic interactions and ferromagneic Heisenberg interactions between triangles. For a certain ratio between interactions…
The photoexcited dynamics of order parameter in Peierls chain is investigated by using a microscopic quantum theory in the limit where the hot electrons may establish themselves into a quasi-equilibrium state described by an effective…