Related papers: Mathematical foundations of phonons in incommensur…
The temperature-dependent phonons are a generalization of interatomic force constants varying in T, which as found widespread use in computing the thermal transport of materials. A formal justification for using this combination to access…
We investigate stability properties of a type of periodic solutions of the $N$-vortex problem on general domains $\Omega\subset \mathbb{R}^2$. The solutions in question bifurcate from rigidly rotating configurations of the whole-plane…
First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…
We investigate the dynamical structure factor associated with lattice fluctuations in a model that approximates the manganites. It involves electrons strongly coupled to core spins, and to lattice distortions, in a weakly disordered…
We study bandstructure properties of periodic optical systems composed of lossy and intrinsically dispersive materials. To this end, we develop an analytical framework based on adjoint modes of a lossy periodic electromagnetic system and…
The ideal strength of monolayer materials possessing semimetallic, semiconducting, and insulating ground states is computed using density functional theory. Here we show that, as in graphene, a soft mode occurs at the K-point in BN,…
Search for one dimensional (1D) van der Waals materials has become an urgent need to meet the demand as building blocks for high performance, miniaturized, lightweight device applications. Polyyne, a 1D atomic chain of carbon is the…
Dislocations corresponding to a change of stacking in two-dimensional hexagonal bilayers, graphene and boron nitride, and associated with boundaries between commensurate domains are investigated using the two-chain Frenkel-Kontorova model…
We demonstrate that spatially inhomogeneous defocusing nonlinear landscapes with the nonlinearity coefficient growing toward the periphery as [1+abs(r)]**a support one- and two-dimensional fundamental and higher-order bright solitons, as…
Propagating atomic vibrational waves, phonons, rule important thermal, mechanical, optoelectronic and transport characteristics of materials. Thus the knowledge of phonon dispersion, namely the dependence of vibrational energy on momentum…
In conventional \textit{ab initio} methodologies, phonons are calculated by solving equations of motion involving static interatomic force constants and atomic masses. The Born-Oppenheimer approximation, where all electronic degrees of…
We consider a classical equation known as the $\phi^4$ model in one space dimension. The kink, defined by $H(x)=\tanh(x/{\sqrt{2}})$, is an explicit stationary solution of this model. From a result of Henry, Perez and Wreszinski it is known…
The monolayer of black phosphorous, or phosphorene, has recently emerged as a new 2D semiconductor with intriguing highly anisotropic transport properties. Existing calculations of its intrinsic phonon-limited electronic transport…
We describe coupled electron-phonon systems semiclassically - Ehrenfest dynamics for the phonons and quantum mechanics for the electrons - using a classical Monte Carlo approach that determines the nonequilibrium response to a large pump…
Phonon spectra of detwinned {SrFe$_2$As$_2$} crystals, as measured by inelastic x-ray scattering, show clear anisotropy accompanying the magneto-structural transition at 200 K. We model the mode splitting using magnetic DFT calculations,…
Phosphorene, a two-dimensional (2D) analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high…
We apply standard, first-principles calculations to a complete treatment of lattice dynamics in the harmonic approximation. The algorithm makes use of the straightforward ``frozen-phonon'' approach to the calculation of vibrational spectra…
Electrides are special ionic solids with excess cavity-trapped electrons serving as anions. Despite the extensive studies on electrides, the interplay between electrides and magnetism is not well understood due to the lack of stable…
We develop a kinetic theory for twisted density waves (phonons), carrying a finite amount of orbital angular momentum, in large magneto optical traps, where the collective processes due to the exchange of scattered photons are considered.…
We study the effect of diagonal and off-diagonal electron-phonon coupling in the ground state properties of the t-J model. Adiabatic and quantum phonons are considered using Lanczos techniques. Charge tiles and stripe phases with mobile…