Related papers: Large-amplitude periodic atomic vibrations in diam…
In this work, we present a computational scheme for isolating the vibrational spectrum of a defect in a solid. By quantifying the defect character of the atom-projected vibrational spectra, the contributing atoms are identified and the…
In the present paper the resonances of vibrational modes in one-dimensional random Morse lattice are found and analyzed. The resonance energy exchange is observed at some values of elongation. Resonance $2 \omega_1 = \omega_2$ is…
Density functional perturbation theory is a well-established method to study responses of molecules and solids, especially responses to atomic displacements or to different perturbing fields (electric, magnetic). Like for density functional…
A vibrational model of transport properties of dense fluids assumes that solid-like oscillations of atoms around their temporary equilibrium positions dominate the dynamical picture. The temporary equilibrium positions of atoms do not form…
We present an analytical description of the large-amplitude stationary oscillations of the finite discrete system of harmonically-coupled pendulums without any restrictions to their amplitudes (excluding a vicinity of $\pi$). Although this…
We numerically explore synthetic crystal diamond for realizing novel light sources in ranges which are up to now difficult to achieve with other materials, such as sub-10-fs pulse durations and challenging spectral ranges. We assess the…
Crystal lattice deformations can be described microscopically by explicitly accounting for the position of atoms or macroscopically by continuum elasticity. In this work, we report on the description of continuous elastic fields derived…
A study of the non linear modes of a two degree of freedom mechanical system with bilateral elastic stop is considered. The issue related to the non-smoothness of the impact force is handled through a regularization technique. In order to…
Disordered mechanical systems with high connectivity represent a limit opposite to the more familiar case of disordered crystals. Individual ions in a crystal are subjected essentially to nearest-neighbor interactions. In contrast, the…
We discuss the emergence of non-stationarity in open quantum many-body systems. This leads us to the definition of dissipative time crystals which display experimentally observable, persistent, time-periodic oscillations induced by noisy…
The chemical ordering transition in a binary alloy is examined using classical density functional theory for a binary mixture. The ordered lattice is assumed to be obtained from the disordered lattice by a volume change only, as in L1_2…
We study the nonlinear wave dynamics of one-dimensional chains of polycatenated rings. These interlocked structures support amplitude-dependent nonlinear wave propagation driven by tensile activation and internal structural flexibility,…
Studying the jamming transition of granular and colloidal systems, has lead to a proliferation of theoretical and numerical results formulated in the language of the eigenspectrum of the dynamical matrix for these disordered system. Only…
One-dimensional tight-binding lattice, single site of which possesses harmonically vibrating level is studied. The states of non-interacting electrons incident with fixed energy from infinity are considered. It is shown that at definite…
Magnetic resonance techniques provide a powerful tool for controlling spin systems, with applications ranging from quantum information processing to medical imaging. Nevertheless, the behavior of a spin system under strong excitation…
Flat-band models have been of particular interest from both fundamental aspects and realization in materials. Beyond the canonical examples such as Lieb lattices and line graphs, a variety of tight-binding models are found to possess flat…
We propose a random matrix approach to describe vibrational excitations in disordered systems. The dynamical matrix M is taken in the form M=AA^T where A is some real (not generally symmetric) random matrix. It guaranties that M is a…
The coupling between defects in diamond and a superconducting microwave resonator is studied in the nonlinear regime. Both negatively charged nitrogen-vacancy and P1 defects are explored. The measured cavity mode response exhibits strong…
We propose here a formal foundation for practical calculations of vibrational mode lifetimes in solids. The approach is based on a recursion method analysis of the Liouvillian. From this we derive the lifetime of a vibrational mode in terms…
Quantum-mechanical ab initio calculations are performed to elucidate the vibrational spectroscopic features of a common irradiation-induced defect in diamond, i.e. the neutral vacancy. Raman spectra are computed analytically through a…