相关论文: Understanding Phonon Properties in Isoreticular Me…

We propose a method for detecting single chiral phonons that will enable their use as dark-matter detectors. We suggest metal--organic frameworks (MOFs) as detector materials, as their flexibility yields low-energy chiral phonons with…

Understanding the effect of vibrations in optically active nano systems is crucial for successfully implementing applications in molecular-based electro-optical devices, quantum information communications, single photon sources, and…

Isotopic substitution modifies nuclear masses without altering the electronic potential energy surface to first order and is therefore often interpreted as a simple rescaling of vibrational frequencies. In solids with dense phonon…

We investigate light-matter coupling in metallic crystals where plasmons coexist with phonons exhibiting large oscillator strength. We demonstrate theoretically that this coexistence can lead to strong light-matter interactions without…

Nonlinear phononics relies on the resonant optical excitation of infrared-active lattice vibrations to coherently induce targeted structural deformations in solids. This form of dynamical crystal-structure design has been applied to control…

Phonons are ubiquitous quasiparticles in solid state systems describing the quantized vibrations of a crystal lattice. Phonons play a central role in a wide range of physical phenomena, from transport to symmetry-breaking orders, such as…

Covalent-organic frameworks (COFs) are intriguing platforms for designing functional molecular materials. Here, we present a computational study based on van der Waals dispersion-corrected hybrid density functional theory calculations to…

Metal-organic frameworks (MOFs) can be exceptionally good catalytic materials thanks to the presence of active metal centres and a porous structure that is advantageous for molecular adsorption and confinement. We present here a…

We performed ab initio calculations of the elastic constants of five flexible metal-organic frameworks: MIL-53(Al), MIL-53(Ga), MIL-47 and the square and lozenge structures of DMOF-1. Tensorial analysis of the elastic constants reveal a…

Topological band structures in electronic systems like topological insulators and semimetals give rise to highly unusual physical properties. Analogous topological effects have also been discussed in bosonic systems, but the novel phenomena…

We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liquid state, a low-density porous crystalline phase. Its…

Metal-organic frameworks (MOFs) marry inorganic nodes, organic edges, and topological nets into programmable porous crystals, yet their astronomical design space defies brute-force synthesis. Generative modeling holds ultimate promise, but…

Using a first-principles approach we calculate the acoustic electron-phonon couplings in graphene for the transverse (TA) and longitudinal (LA) acoustic phonons. Analytic forms of the coupling matrix elements valid in the long-wavelength…

Solid materials are commonly classified as crystalline or amorphous based on the presence or absence of long-range order.Metal-organic frameworks (MOFs), like other solids,also display markedly different properties and functions in these…

Phonon dispersion is widely used to elucidate the vibrational properties of materials. As an emerging technique, momentum-resolved vibrational spectroscopy in scanning transmission electron microscopy (STEM) offers an unparalleled approach…

Topological properties of solid states have sparked considerable recent interest due to their importance in the physics of lattices with a non-trivial basis and their potential in the design of novel materials. Here we describe an…

In the present paper, we utilize the coupled-oscillator model describing the hybridization of optical phonons in touching and/or overlapping particles in order to study the Raman spectra of nanoparticles organized into various types of…

Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly as a source of performance degradation, recent theoretical…

Phononic crystals and acoustic meta-materials are used to tailor phonon and sound propagation properties by facilitating artificial, periodic structures. Analogous to photonic crystals, phononic band gaps can be created, which influence…

The elastic collective modes of a moir\'e superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called…