相关论文: Phonon spectrum and vibrational characteristics of…

Structural stability and vibrational properties of KN$_3$ have been studied under pressure using the first principles calculations based on the density functional theory (DFT) as well as with semi empirical dispersion correction to the DFT…

We have adapted R-matrix theory to calculate phonon scattering across systems of molecular to mesoscopic scale. The key novelty of this work is that the only required information about the scattering region are its normal modes, which are…

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…

Phonons-quantized vibrational modes in crystalline structures-govern phenomena ranging from thermal and mechanical transport to quantum mechanics. In recent years, a new class of artificial materials called phononic crystals has emerged,…

Fluids confined within narrow channels exhibit a variety of phases and phase transitions associated with their reduced dimensionality. In this review paper, we illustrate the crossover from quasi-one dimensional to higher effective…

Accessing the terahertz (THz) spectral domain through surface-enhanced Raman spectroscopy (SERS) is challenging and opens up the study of low-frequency molecular and electronic excitations. Compared to direct THz probing of heterogenous…

Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…

We examine a single-file chain of ammonia molecules in a carbon nanotube. To this end, we use i) molecular dynamics simulations (combined with the charges for ammonia nitrogen and hydrogen obtained from quantum chemistry) and ii)…

Sodium niobate (NaNbO3) exhibits most complex sequence of structural phase transitions in perovskite family and therefore provides as excellent model system for understanding the mechanism of structural phase transitions. We report…

Contact-based vibrations play a critical role in the dynamics of granular materials. Significant insights into vibrational granular dynamics have been obtained with reduced-dimensional systems containing macroscale particles. We study…

We perform an analytical investigation in the framework of generalized $K$ matrix theory of the scattering problem in tight isotropic and harmonic waveguides allowing for several open scattering channels. The scattering behavior is explored…

Moir\'e patterns arising from twisted van der Waals stacks fundamentally reshape their electronic properties, enabling band-structure engineering that has driven rapidly growing interest in this field. In studying electronic properties,…

The thermodynamics of a quantum system of layers containing perpendicularly oriented dipolar molecules is studied within an oscillator approximation for both bosonic and fermionic species. The system is assumed to be built from chains with…

Nanostructuring on length scales corresponding to phonon mean free paths provides control over heat flow in semiconductors and makes it possible to engineer their thermal properties. However, the influence of boundaries limits the validity…

Magnetic order in van der Waals magnets can strongly influence their lattice dynamics, yet how this interaction manifests across different phonon length scales remains unclear. Optical phonons probe bond-scale exchange modulation and…

We present a theory for the van Hove singularity (VHS) in the tunneling density of states (TDOS) of disordered multichannel quantum wires, in particular multi-wall carbon nanotubes. We assume close-by gates which screen off…

One-dimensional (1D) chains offer unique opportunities for nanoelectronics and spintronics, yet their experimental realization remains challenging because 1D motifs are often thermodynamically disfavored relative to higher-dimensional…

A device for absorbing and storing short duration impulses in an initially uncompressed one-dimensional granular chain is presented. Simply stated, short regions of sufficiently soft grains are embedded in a hard granular chain. These…

The dynamical properties of the high-density Ru(001)-(1$\times$1)-O phase has been investigated by a combined high-resolution electron energy loss spectroscopy and density functional theory study. Due to a strong static outward relaxation…

A microscopic theory for the interaction of carriers with LO phonons is used to study the ultrafast carrier dynamics in nitride-based semiconductor quantum dots. It is shown that the efficiency of scattering processes is directly linked to…