Related papers: Transverse and longitudinal vibrations in amorphou…
Using the Activation-Relaxation Technique-nouveau, we search for two-level systems (TLSs) in models of amorphous silicon (a-Si). The TLSs are mechanisms related to internal mechanical dissipation and represent the main source of noise in…
While there are several methods, e.g., anharmonic lattice dynamics and normal mode decomposition, to compute the modal lattice vibrational information in perfect crystals, the modal information of vibrations, e.g., vibrational relaxation…
We have used tight-binding molecular-dynamics simulations to investigate the role of point defects (vacancies and interstitials) on structural relaxation in amorphous silicon. Our calculations give unambiguous evidence that point defects…
The analytical solution is given for a vibrating rigid core sphere, oscillating up and down without volume change, situated at the center of an elastic material spherical shell, which in turn is situated inside an infinite (possible…
The band offsets between crystalline and hydrogenated amorphous silicon (a-Si:H) are key parameters governing the charge transport in modern silicon hetrojunction solar cells. They are an important input for macroscopic simulators that are…
Low-loss deposited dielectrics are beneficial for the advancement of superconducting integrated circuits for astronomy. In the microwave band ($\mathrm{\sim}$1$\unicode{x2013}$10 GHz) the cryogenic and low-power dielectric loss is dominated…
Both the stretch and bend vibrational spectrum and the intensity of infrared transitions in a tetrahedral molecule are studied in a U(2) algebraic model, where the spurious states in the model Hamiltonian and the wavefunctions are exactly…
Recent years have witnessed significant developments in the study of nonlinear properties of various optical materials at the nanoscale. However, in most cases experimental results on harmonic generation from nanostructured materials are…
Sound attenuation and internal friction coefficients are calculated for a realistic model of amorphous silicon. It is found that, contrary to previous views, thermal vibrations can induce sound attenuation at ultrasonic and hypersonic…
The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties…
We present a first-principles study of the structural, electronic, and optical properties of hydrogenated amorphous silicon (a-Si:H). To this end, atomic configurations of a-Si:H with 72 and 576 atoms respectively are generated using…
The sample dependence of various properties of hydrogenated amorphous silicon ($a$-Si:H) have been studied with 216 silicon atoms and 24 hydrogen atoms using the density functional based tight binding molecular dynamics simulations. The…
Room temperature simulations of graphene have been performed as a function of the mechanical tension of the layer. Finite-size effects are accurately reproduced by an acoustic dispersion law for the out-of-plane vibrations that, in the…
The nonlinear characteristics of hydrogenated amorphous silicon nanowires are experimentally demonstrated. A high nonlinear refractive index, n2=1.19 x 10-17 m2/W, combined with a low two-photon absorption, 0.14 x 10-11 m/W, resulted in a…
We find that hexagonal structures forming in semiconductor resonators can range from coherent patterns to arrangements of loosely bound spatial solitons, which can be individually switched. Such incoherent arrangements are stabilized by…
Locally, the atomic structure in well annealed amorphous silicon appears similar to that of crystalline silicon. We address here the question whether a point defect, specifically a vacancy, in amorphous silicon also resembles that in the…
Protection of topological surface states by reflection symmetry breaks down when the boundary of the sample is misaligned with one of the high symmetry planes of the crystal. We demonstrate that this limitation is removed in amorphous…
As a function of packing fraction at zero temperature and applied stress, an amorphous packing of spheres exhibits a jamming transition where the system is sensitive to boundary conditions even in the thermodynamic limit. Upon further…
We consider spin angular momentum density in inhomogeneous acoustic fields: evanescent waves and surface waves at interfaces with negative-density metamaterials. Despite being purely longitudinal (curl-free), acoustic waves possess…
While linear molecules in their vibrational ground state cannot carry angular momentum around their symmetry axis, the presence of vibrational excitations can induce deformations away from linearity and therefore also allow angular momentum…