Related papers: Monitorization of the H-O Bond Flexibility
Binding of a ligand on a protein changes the flexibility of certain parts of the protein, which directly affects its function. These changes are not the same at each point, some parts become more flexible and some others become stiffer.…
Vibrational optical spectroscopies can be enhanced by surface plasmons to reach molecular-sized limits of detection and characterization. The level of enhancement strongly depends on microscopic details of the sample that are generally…
We investigate the behaviour of hard-core bosons in one- and two-dimensional flat band systems, the chequerboard and the kagom\'e lattice and one-dimensional analogues thereof. The one dimensional systems have an exact local reflection…
To discuss the interplay of electronic and lattice degrees of freedom in systems with strong Coulomb correlations we have performed an extensive numerical study of the two-dimensional Holstein t-J model. The model describes the interaction…
The experimental study of hydrogen bonds and their symmetrisation under extreme conditions is predominantly driven by diffraction methods, despite challenges of localising or probing the hydrogen subsystems directly. Until recently, H-bond…
We demonstrate how supercell implementations of conventional lattice dynamical calculations can be used to determine the extent and nature of disorder-induced broadening in the phonon dispersion spectrum of disordered crystalline materials.…
We show that measuring commuting observables can be sufficient to assess that a bipartite state is entangled according to either nonseparability or the stronger criterion of 'steerability'. Indeed, the measurement of a single observable…
We demonstrate a pump-probe strobe light spectroscopy for sensitive detection of magneto-optical dynamics in the context of hybrid magnonics. The technique uses a combinatorial microwave-optical pump-probe scheme, leveraging both the…
Coherent phonon-polaritons have attracted a considerable amount of interest owing to their relevance to nonlinear optics and terahertz (THz)-wave emissions. Therefore, it is important to analyze the THz electric-fields of phonon-polaritons.…
We study the half-breathing phonon in the three-band model of a high temperature superconductor, allowing for vibrations of atoms and resulting changes of hopping parameters. Two different approaches are compared. From the three-band model…
Employing the density-functional theory with local density approximation, we show that the fully hydrogenated monolayer-hexagonal boron nitride (H$_2$BN) has a direct-band gap of 2.96 eV in the blue-light region while the pristine…
Recent experimental observations of time-dependent beatings in the two-dimensional echo-spectra of light-harvesting complexes at ambient temperatures have opened up the question whether coherence and wave-like behaviour plays a significant…
The bond distance is the simplest and most obvious indicator of the nature of a given chemical bond. However, for rare chemistry, it may happen that it is not yet firmly established. In this communication, we will show that the…
We design, test, and analyze fiber-optic voltage sensors based on optical reflection from a piezoelectric transducer. By controlling the physical dimensions of the device, we can tune the frequency of its natural resonance to achieve a…
The spectral response and physical features of the 2D Hubbard-Holstein model are calculated both in equilibrium at zero and low chemical dopings, and after an ultra short powerful light pulse, in undoped systems. At equilibrium and at…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
We investigate the ground state properties of the bipolaron coupled to quantum dispersive optical phonons in the one-dimensional Holstein-Hubbard model. We concentrate on the interplay between the phonon dispersion and the Coulomb repulsion…
The percentage and sequence of AT and GC base pairs and charges on the DNA backbone contribute significantly to the stiffness of DNA. This elastic property of DNA also changes with small interacting ligands. The single-molecule force…
Dynamic Hubbard models describe coupling of a boson degree of freedom to the on-site electronic double occupancy. In the limit of infinite boson frequency this coupling gives rise to a correlated hopping term in the effective Hamiltonian…
A simple bulk model of electron-phonon coupling in metals has been surprisingly successful in explaining experiments on metal films that actually involve surface- or other low-dimensional phonons. However, by an exact application of this…