Related papers: Probing Lattice Dynamics in Real-Space and Real-Ti…
Interactions between electrons and lattice vibrations are responsible for a wide range of material properties and applications. Recently, there has been considerable interest in the development of resonant inelastic x-ray scattering (RIXS)…
Electronic structure calculations in the time domain provide a deeper understanding of nonequilibrium dynamics in materials. The real-time Boltzmann equation (rt-BTE), used in conjunction with accurate interactions computed from first…
Quantitative knowledge of electron-phonon coupling is important for many applications as well as for the fundamental understanding of nonequilibrium relaxation processes. Time-resolved diffraction provides direct access to this knowledge…
For over a century, x-ray scattering has been the most powerful tool for determining the equilibrium structure of crystalline materials. Deviations from perfect periodicity, for example due to thermal motion of the atoms, reduces the…
The coherence of collective modes, such as phonons, and their modulation of the electronic states are long sought in complex systems, which is a cross-cutting issue in photovoltaics and quantum electronics. In photovoltaic cells and lasers…
Shaking a lattice system, by modulating the location of its sites periodically in time, is a powerful method to create effective magnetic fields in engineered quantum systems, such as cold gases trapped in optical lattices. However, such…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
The intermolecular lattice vibrations in small-molecule organic semiconductors have a strong impact on their functional properties. Existing models treat the lattice vibrations within the harmonic approximation. In this work, we use…
Vibrational dynamics governs the fundamental properties of molecular crystals, shaping their thermodynamics, mechanics, spectroscopy, and transport phenomena. However desirable, the first-principles calculation of solid-state vibrations,…
Over the past decades, high-harmonic spectroscopy (HHS) has emerged as a powerful tool for all-optical probing of topological properties of solids. There are outstanding questions regarding universal nature of the spectral features of…
We combine femtosecond electron diffuse scattering experiments and first-principles calculations of the coupled electron-phonon dynamics to provide a detailed momentum-resolved picture of the ultrafast lattice thermalization in a thin film…
The lattice technique of studying the strong interaction of matter is used to obtain predictions of the hadronic spectrum. These simulations were performed by the UKQCD collaboration using full (unquenched) QCD. Details of the results, a…
We present a comprehensive investigation of lattice dynamics in the double-helix antiferromagnet FeP by means of high-resolution time-of-flight neutron spectroscopy and ab-initio calculations. Phonons can hybridize with the magnetic…
The lattice dynamics of FeSb2 is investigated by the first-principles DFT calculations and Raman spectroscopy. All Raman and infra-red active phonon modes are properly assigned. The calculated and measured phonon energies are in good…
We study the phonon dynamics in lattices of optomechanical resonators where the mutually coupled photonic modes are coherently driven and the mechanical resonators are uncoupled and connected to independent thermal baths. We present a…
Optical lattice plays an important role on stability and dynamics of quantum droplets. In this letter, we investigate the Bogoliubov excitation spectrum of quantum droplets in optical lattice in the thermodynamic limit. We classify the…
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.…
First principles predictions of lattice dynamics are of vital importance for a broad range of topics in materials science and condensed matter physics. The large-scale nature of lattice dynamics calculations and the desire to design novel…
Metamaterials based on mechanical elements have been developed over the past decade as a powerful platform for exploring analogs of electron transport in exotic regimes that are hard to produce in real materials. In addition to enabling new…
Entropy transfer in metal halide perovskites, characterized by significant lattice anharmonicity and low stiffness, underlies the remarkable properties observed in their optoelectronic applications, ranging from solar cells to lasers. The…