Related papers: Correlation Matrix Method for Phonon Quasiparticle…
Understanding collective phenomena in quantum materials from first principles is a promising route toward engineering materials properties on demand and designing new functionalities. This work examines the quantum paraelectric state, an…
Cubic phonon interactions are now regularly computed from first principles, and the quartic interactions have begun to receive more attention. Given this realistic anharmonic vibrational Hamiltonian, the classical phonon Green's function…
The field of optomechanics provides us with several examples of quantum photon-phonon interface. In this paper, we theoretically investigate the generation and manipulation of quantum correlations in a microfabricated optomechanical array.…
There has been an ongoing race for the past several years to develop the best universal machinelearning interatomic potential. This progress has led to increasingly accurate models for predictingenergy, forces, and stresses, combining…
The path integral formalism is applied to derive the full partition function of a generalized Su-Schrieffer-Heeger Hamiltonian describing a particle motion in a bath of oscillators. The electronic correlations are computed versus…
The crystal structure and phonon dynamics of pentacene is computed with the Quasi Harmonic Lattice Dynamics (QHLD) method, based on atom-atom potential. We show that two crystalline phases of pentacene exist, rather similar in thermodynamic…
Quasiparticle theory gives a local relation between heat current and temperature gradient, provided the quasiparticle mean free path is smaller than the scale of variation of temperature. When mean free paths are comparable to sample size,…
Several thermodynamic properties of ice Ih, II, and III are studied by a quasi-harmonic approximation and compared to results of quantum path integral and classical simulations. This approximation allows to obtain thermodynamic information…
We propose a feasible and effective approach to study quantum thermal transport through anharmonic systems. The main idea is to obtain an {\it effective} harmonic Hamiltonian for the anharmonic system by applying the self-consistent phonon…
Using femtosecond pump-probe spectroscopy with pulse shaping techniques, one can generate and detect coherent phonons in chirality-specific semiconducting single-walled carbon nanotubes. The signals are resonantly enhanced when the pump…
The quantum harmonic oscillator is the fundamental building block to compute thermal properties of virtually any dielectric crystal at low temperatures in terms of phonons, extended further to cases with anharmonic couplings, or even…
We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned…
Understanding and simulating the thermodynamic and dynamical properties of materials affected by strong ionic anharmonicity is a central challenge in material science. Much interest is in material displaying critical displacive behaviour,…
Theoretical frameworks used to qualitatively and quantitatively describe nuclear dynamics in solids are often based on the harmonic approximation. However, this approximation is known to become inaccurate or to break down completely in many…
Arrays of coupled phonon cavities each including an impurity qubit in silicon are considered. We study experimentally feasible architectures that can exhibit quantum many-body phase transitions of phonons, e.g. Mott insulator and superfluid…
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,…
The notion of topology in physical systems is associated with the existence of a nonlocal ordering that is insensitive to a large class of perturbations. This brings robustness to the behaviour of the system and can serve as a ground for…
The phonon dispersion relations of crystal lattices can often be well-described with the harmonic approximation. However, when the potential energy landscape exhibits more anharmonicity, for instance, in case of a weakly bonded crystal or…
We study phonon modes associated with magnetic vortex lattices of finite isospin chiral perturbation theory near the upper critical point by introducing quasimomentum fluctuations to the lattice and calculate dispersion relations associated…
The lower mantle of Earth, characterized by pressures of 24-127 GPa and temperatures of 1900-2600 K, is still inaccessible to direct observations. In this work, we investigate by first principles the stability, phase diagram, elastic…