Related papers: Interatomic forces, phonons, the Foreman-Lomer The…
I present the mathematical structure of classical phonon theory in a general form, which emphasizes the wave natures of phonons, and which can serve as a robust foundation for further development of the theory of strongly interacting…
We apply the Poisson sum rule to obtain formal expressions for the Fourier coefficients of the potential of a lattice of generalized charge. Each generalized charge is assumed to contribute to the potential a term which depends only on the…
The mode-sum method provides a practical means for calculating the self force acting on a small particle orbiting a larger black hole. In this method, one first computes the spherical-harmonic $l$-mode contributions $F^{\mu}_l$ of the "full…
Ab initio calculations and a direct method have been applied to derive the phonon dispersion curves and phonon density of states for the TiC crystal. The results are compared and found to be in a good agreement with the experimental neutron…
The Casimir force between metallic plates made of realistic materials is evaluated for distances in the nanometer range. A spectrum over real frequencies is introduced and shows narrow peaks due to surface resonances (plasmon polaritons or…
An increasing number of theoretical calculations on few-layer materials have been reporting a non-zero sound velocity for all three acoustic phonon modes. In contrast with these reports, here we show that the lowest phonon dispersion branch…
A correlation function of two particles with small relative velocities obeys a sum rule - the momentum integral of the function is determined due to the completeness of quantum states of the particles. The original sum rule derived in 1995…
Diagrammatic techniques are well-known in the calculation of dispersion interactions between atoms or molecules. The multipolar coupling scheme combined with Feynman ordered diagrams significantly reduces the number of graphs compared to…
The quantitative interatomic force measurements open a new pathway to materials characterization, surface science, and chemistry by elucidating the force between 'two' interacting atoms as a function of their separation. Atomic force…
The Balmer formula for the spectrum of atomic hydrogen is shown to be analogous to that in Compton effect and is written in terms of the difference between the absorbed and emitted wavelengths. The g-factors come into play when the atom is…
The Born effective charges of component atoms and phonon spectra of a tetrahedrally coordinated crystalline ice are calculated from the first principles method based on density functional theory within the generalized gradient approximation…
We present an analysis of the vibrational dynamics of metal vicinal surfaces using the embedded atom method to describe the interaction potential and both a real space Green's function method and a slab method to calculate the phonons. We…
The aim of this paper is to revisit the calculation of atom-surface quantum friction in the quantum field theory formulation put forward by Barton [New J. Phys. 12 (2010) 113045]. We show that the power dissipated into field excitations and…
In this manuscript, we provide a general theory for how surface phonons couple to molecular adsorbates. Our theory maps the extended dynamics of a surface's atomic vibrational motions to a generalized Langevin equation, and by doing so…
Using the Boltzmann equation for electrons in metals, we show that the optical phonons soften and have a dispersion due to screening in agreement with the results reported recently [M. Reizer, Phys. Rev. B {\bf 61}, 40 (2000)]. Additional…
We present a new scheme to extract numerically ``optimal'' interatomic potentials from large amounts of data produced by first-principles calculations. The method is based on fitting the potential to ab initio atomic forces of many atomic…
We introduce and model a three-dimensional (3D) atomic-scale phononic metamaterial producing two-path phonon interference antiresonances to control the heat flux spectrum. We show that a crystal plane partially embedded with defect-atom…
A sum rule for the first frequency moment of the optical absorption of a many-polaron system is derived, taking into account many-body effects in the system of constituent charge carriers of the many-polaron system. In our expression for…
We propose an algorithm for accurate, systematic and scalable computation of interatomic forces within the auxiliary-field Quantum Monte Carlo (AFQMC) method. The algorithm relies on the Hellman-Fenyman theorem, and incorporates Pulay…
The behavior of collective oscillations of a trapped boson-fermion mixed condensate is studied in the sum rule approach. Mixing angle of bosonic and fermionic multipole operators is introduced so that the mixing characters of the low-lying…