Related papers: PARPHOM: PARallel PHOnon calculator for Moir\'e sy…
The study of heat transport in two-dimensional (2D) materials reveals novel behaviors due to quantum confinement effects, where in-plane and out-of-plane phonons play crucial roles. In 2D materials like graphene, it is widely recognized…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
The electronic and vibrational properties of 2D materials are dramatically altered by the formation of a moir\'e superlattice. The lowest-energy phonon modes of the superlattice are two acoustic branches (called phasons) that describe the…
The role of twist angle ($\theta_t$) in tailoring the physical properties of heterostructures is emerging as a new paradigm in two-dimensional materials. The influence of flat electronic bands near the magic angle ($\sim$1.1$^{\circ}$) on…
Grimme's DFT-D dispersion contribution to interatomic forces constants, required for the computation of the phonon band structures in density-functional perturbation theory, has been derived analytically. The implementation has then been…
Two dimensional materials offer a path forward for smaller and more efficient devices. Their optical and electronic properties give way to beat the limits set in place by Moore's Law. Plasmon are the collective oscillations of electrons and…
The field of topological mechanics has recently emerged due to the interest in robustly transporting various types of energy in a flaw and defect-insensitive fashion. While there have been a significant number of studies based on…
Polarons, quasiparticles arising from electron-phonon coupling, are crucial in understanding material properties such as high-temperature superconductivity and colossal magnetoresistance. However, scarce studies have been performed to…
Phosphorene, an emerging elemental two-dimensional (2D) direct band gap semiconductor with fascinating structural and electronic properties distinctively different from other 2D materials such as graphene and MoS2, is promising for novel…
The suite of highly confined polaritons supported by two-dimensional (2D) materials constitutes a versatile platform for nano-optics, offering the means to channel light on deep-subwavelength scales. Graphene, in particular, has attracted…
Extreme confinement of electromagnetic energy by phonon polaritons holds the promise of strong and new forms of control over the dynamics of matter. To bring such control to the atomic-scale limit, it is important to consider phonon…
Phonon polaritons (PhPs) are hybrid light-matter modes. We investigate them in two-dimensional (2D) materials with twisted moir\'{e} structures, revealing that the moir\'{e} potential creates a new class of `moir\'{e} PhPs'. These exhibit a…
Accurately predicting phonon scattering is crucial for understanding thermal transport properties. However, the computational cost of such calculations, especially for four-phonon scattering, can often be more prohibitive when large number…
Heat transport by acoustic phonons in 2D materials is fundamentally different from that in 3D crystals because the out-of-plane phonons propagate in a unique way that strongly depends on tension and bending rigidity. Since in-plane and…
Disentangling and recovering physical attributes, such as shape and material, from a few waveform examples is a challenging inverse problem in audio signal processing, with numerous applications in musical acoustics as well as structural…
The two-dimensionality of graphene and other layered materials can be exploited to simplify the theoretical description of their plasmonic and polaritonic modes. We present an analytical theory that allows us to simulate these excitations…
One central challenge in understanding phonon thermal transport is a lack of experimental tools to investigate mode-based transport information. Although recent advances in computation lead to mode-based information, it is hindered by…
Full ranges of both hybrid plasmon-mode dispersions and their damping are studied systematically by our recently developed mean-field theory in open systems involving a conducting substrate and a two-dimensional (2D) material with a buckled…
In this work we carry out a theoretical study of the phonon-induced resistivity in twisted double bilayer graphene (TDBG), in which two Bernal-stacked bilayer graphene devices are rotated relative to each other by a small angle $\theta$. We…
Following the discovery of moir\'e-driven superconductivity in twisted graphene multilayers, twistronics has spurred a surge of interest in tailored broken symmetries through angular rotations, enabling new properties from electronics to…