Related papers: PARPHOM: PARallel PHOnon calculator for Moir\'e sy…
A moire pattern is formed when two copies of a periodic pattern are overlaid with a relative twist. We address the electronic structure of a twisted two-layer graphene system, showing that in its continuum Dirac model the moire pattern…
In van der Waals heterostructures, electronic bands of two-dimensional (2D) materials, their nontrivial topology, and electron-electron interactions can be dramatically changed by a moire pattern induced by twist angles between different…
In the quest for stable 2D arsenic phases, four different structures have been recently claimed to be stable. We show that, due to phonon contributions, the relative stability of those structures differs from previous reports and depends…
The notion of topology in physical systems is associated with the existence of a nonlocal ordering that is insensitive to a large class of perturbations. This brings robustness to the behaviour of the system and can serve as a ground for…
Intercalation offers a promising way to alter the physical properties of two-dimensional (2D) layered materials. Here we investigate the electronic and vibrational properties of 2D layered MoSe$_2$ intercalated with atomic manganese at…
An algorithm for mapping the true phonon modes of a film, which are defined by a two-dimensional (2D) Brillouin zone, to the modes of the corresponding bulk material, which are defined by a three-dimensional (3D) Brillouin zone, is…
Phonons, as quantized vibrational modes in crystalline materials, play a crucial role in determining a wide range of physical properties, such as thermal and electrical conductivity, making their study a cornerstone in materials science. In…
Experiments studying phonon mediated drag in the double layer two dimensional electron gas system are reported. Detailed measurements of the dependence of drag on temperature, layer spacing, density ratio, and matched density are discussed.…
We calculate the phonon-dispersion relations of several two-dimensional materials and diamond using the density-functional based tight-binding approach (DFTB). Our goal is to verify if this numerically efficient method provides sufficiently…
Machine-learning interatomic potentials are widely used as computationally efficient surrogates for density functional theory in atomistic simulations, enabling large-scale, long-time modeling of materials systems. We investigate how…
Excitons in twisted bilayers of transition metal dichalcogenides have strongly modified dispersion relations due to the formation of periodic moir\'e potentials. The strong coupling to a light field in an optical cavity leads to the…
Coherent engineering of landscape potential in crystalline materials is a rapidly evolving research field. Ultrafast optical pulses can manipulate low-frequency shear phonons in van der Waals layered materials through the dynamical dressing…
An increasing number of theoretical calculations on few-layer materials have been reporting a non-zero sound velocity for all three acoustic phonon modes. In contrast with these reports, here we show that the lowest phonon dispersion branch…
Twisted two-dimensional (2D) layered materials exhibit many novel and unique phenomena, such as insulation and superconductivity transition, and superlubricity. However, the effect of twisting on these phenomena remains unclear. A key…
Nanoporous materials are a promising platform for thermoelectrics in that they offer high thermal conductivity tunability while preserving good electrical properties, a crucial requirement for high- effciency thermal energy conversion.…
The hyperbolic dispersion relation of phonon-polaritons (PhPol) provides high-momentum states, highly directional propagation, subdiffractional confinement, large optical density of states, and enhanced light-matter interactions. In this…
We demonstrate that the concept of moir\'e flat bands can be generalized to achieve electronic band engineering in all three spatial dimensions. For many two dimensional van der Waals materials, twisting two adjacent layers with respect to…
Collective modes of doped two-dimensional crystalline materials, namely graphene, MoS$_2$ and phosphorene, both monolayer and bilayer structures, are explored using the density functional theory simulations together with the random phase…
We develop a computational framework, based on the Boltzmann transport equation, with the ability to compute the thermal transport in nanostructured materials of any geometry using as the only input the bulk thermal conductivity…
We analyze the heat power $P$ between electrons and phonons in thin metallic films deposited on free-standing dielectric membranes in a temperature range in which the phonon gas has a quasi two-dimensional distribution. The quantization of…