Related papers: Fermionic Phonons: Exact Analytic Results and Quan…
Within the framework of density functional theory (DFT), the total energy of crystal structures is calculated at zero temperature. Herein, we briefly discuss the DFT-based lattice-dynamics approach for computing crystal free energy, the…
The density of ions trapped in a harmonic potential in one dimension is not uniform. Consequently the eigenmodes are not phonons. We calculate the long wavelength modes in the continuum limit, and evaluate the density of states in the short…
The behavior of finite temperature planar electrodynamics is investigated. We calculate the static as well as dynamic characteristic functions using real time formalism. The temperature and density dependence of dielectric and permeability…
Harmonic calculations based on density-functional theory are generally the method of choice for the description of phonon spectra of metals and insulators. The inclusion of anharmonic effects is, however, delicate as it relies on…
By generalizing the recently developed path integral molecular dynamics for identical bosons and fermions, we consider the finite-temperature thermodynamic properties of fictitious identical particles with a real parameter $\xi$…
The renormalization of electronic eigenenergies due to electron-phonon interactions (temperature dependence and zero-point motion effect) is important in many materials. We address it in the adiabatic harmonic approximation, based on first…
A method of statistical description of thermodynamic properties of nanocrystals is developed. It is established that size-dependent quantization of vibrational modes results in formation of excess pressure of the phonon gas acting outwards…
Effective harmonic methods allow for calculating temperature dependent phonon frequencies by incorporating the anharmonic contributions into an effective harmonic Hamiltonian. The systematic errors arising from such an approximation are…
New formulas are given for the grand partition function of paraboson systems of order p with n orbitals and parafermion systems of order p with m orbitals. These formulas allow the computation of statistical and thermodynamic functions for…
In this paper, we present a simple, yet versatile, analytical model of one-dimensional photonic crystal (1D PC). In our theoretical model, we take into account direction of propagation and therefore do not neglect anisotropic nature of…
We investigate the particle and kinetic energy densities of harmonically trapped fermion gases at zero temperature in arbitrary dimensions. We derive analytically a differential equation connecting these densities, which so far have been…
After a brief discussion of the concepts of fractional exchange and fractional exclusion statistics, we report partly analytical and partly numerical results on thermodynamic properties of assemblies of particles obeying fractional…
We derive simple analytical expressions for the particle density $\rho(r)$ and the kinetic energy density $\tau(r)$ for a system of noninteracting fermions in a $d-$dimensional isotropic harmonic oscillator potential. We test the…
We present a method to accurately predict the Helmholtz harmonic free energies of molecular crystals in high-throughput settings. This is achieved by devising a computationally efficient framework that employs a Gaussian Process Regression…
It is considered that the effective interaction between any two quarks in a baryon can be approximately described by a simple harmonic potential. Also, it is made use of the nonrelativistic approximation. The problem is firstly solved in…
The lattice vibrations (phonon modes) of crystals underpin a large number of material properties. The harmonic phonon spectrum of a solid is the simplest description of its structural dynamics and can be straightforwardly derived from the…
Exact and approximate expressions for thermodynamic characteristics of heated matter, which consists of particles with finite mass-widths, are constructed. They are expressed in terms of Fermi/Bose distributions and spectral functions,…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
We consider a system of one-dimensional spinless particles interacting via long-range repulsion. In the limit of strong interactions the system is a Wigner crystal, with excitations analogous to phonons in solids. In a harmonic crystal the…
An analytical model of unsteady heat transfer in a one-dimensional harmonic crystal is presented. A nonlocal temperature is introduced as a generalization of the kinetic temperature. A closed equation determining unsteady thermal processes…