相关论文: DynaPhoPy: A code for extracting phonon quasiparti…
The temperature-dependent effective potential (TDEP) method for anharmonic phonon dispersion is generalized to the full potential case by combining with path integral formalism. This extension naturally resolves the intrinsic difficulty in…
An accurate treatment of electronic spectra in large systems with a technique such as time dependent density functional theory (TDDFT) is computationally challenging. Due to the Nyquist sampling theorem, direct real time simulations must be…
Micro- and nanomechanical systems with exceptionally low dissipation rates are enabling the next-generation technologies of ultra-sensitive detectors and quantum information systems. New techniques and methods for lowering the dissipation…
We revisit the study of the probe scalar quasinormal modes of a class of three-charge supersymmetric microstate geometries. We compute the real and imaginary parts of the quasinormal modes and show that in the parameter range when the…
We present a robust reciprocal-space implementation of the temperature-dependent effective potential method. Our implementation can scale easily to large cell and long sampling time. It is interoperable with standard ab-initio molecular…
Phonons are quasiparticles associated with mechanical vibrations in materials. They are at the root of the propagation of sound and elastic waves, as well as of thermal phenomena, which are pervasive in our everyday life and in many…
Phonon reflection and transmission at the interfaces plays a fundamental role in cryogenic particle detectors, in which the optimization of the phonon signal at the sensor (in case of phonon-mediated detectors) or the minimization of the…
We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…
The distance dependence and atomic-scale contrast observed in nominal contact potential difference (CPD) signals recorded by KPFM on surfaces of insulating and semiconducting samples, have stimulated theoretical attempts to explain such…
Noise fundamentally limits the performance and predictive capabilities of classical and quantum dynamical systems by degrading stability and obscuring intrinsic dynamical characteristics. Characterizing such noise accurately is essential…
We investigate crystalline thermodynamic stable lithium silicides phases (LixSiy) with density functional theory (DFT) and a force-field method based on modified embedded atoms (MEAM) and compare our results with experimental data. This…
We theoretically demonstrated and experimentally verified high-order radial spoof localized surface plasmon resonances supported by textured metal particles. Through an effective medium theory and exact numerical simulations, we show the…
A nanophononic metamaterial is a new type of nanostructured material that features an array, or a forest, of intrinsically distributed resonating substructures. Each substructure exhibits numerous local resonances, each of which may…
In this paper we propose a particular description of meson spectroscopy, with emphasis in heavy bound states like charmonia and bottomonia, after working on the main aspects of the construction of an effective potential model. We use the…
Highly accurate experimental structure factors of silicon are available in the literature, and these provide the ideal test for any \emph{ab initio} method for the construction of the all-electron charge density. In a recent paper [J. R.…
Understanding phonon transport mechanisms in nanostructures is of great importance for delicately tailoring thermal properties. Combining phonon particle and wave effects through different strategies, previous studies have obtained…
The investigation of the spectral kinetic model of the Multipole Resonance Probe (MRP) is presented and discussed in this paper. The MRP is a radio-frequency driven probe of the particular spherical design, which is suitable for the…
A fully planar two-dimensional optomechanical crystal formed in a silicon microchip is used to create a structure devoid of phonons in the GHz frequency range. A nanoscale photonic crystal cavity is placed inside the phononic bandgap…
Together with their fingerprint modes, molecules carry coherent vibrations of all their atoms (phonons). Phonon spectra extend from $\sim$20 to more than $10^{4}\,\mu$m, depending on molecular size. These spectra are discrete but large…
We introduce an approach to exploit the existence of multiple levels of description of a physical system to radically accelerate the determination of thermodynamic quantities. We first give a proof of principle of the method using two…