Raman spectroscopy is a widely-used non-destructive material characterization method,
which provides information about the vibrational modes of the material and therefore of its …

Raman spectroscopy is frequently used to identify composition, structure and layer thickness
of 2D materials. Here, we describe an efficient first-principles workflow for calculating …

We present an ab initio computational approach for the calculation of resonant Raman
intensities, including both excitonic and nonadiabatic effects. Our diagrammatic approach …

In contrast to the intensively investigated transition metal dichalcogenides like MoS 2, ReS 2
crystals possess a reduced in-plane symmetry, leading to anisotropic optical properties …

Among the most common few-layers transition metal dichalcogenides (TMDs), WSe 2 is the
most challenging material from the lattice dynamics point of view. Indeed, for a long time the …

Raman spectroscopy is one of the most extended experimental techniques to investigate
thin-layered 2D materials. For a complete understanding and modeling of the Raman …

BiFeO 3 is a technologically relevant multiferroic perovskite featuring ferroelectricity and
antiferromagnetism. Its lattice, magnetic, and ferroelectric degrees of freedom are coupled to …

The coupling between excitons and phonons across adjacent layers has been
experimentally observed in various heterostructures of layered materials. Yet the precise …

State-of-the-art approaches to calculate the electron-phonon and the phonon-electron self-
energy are based on a mean-field approximation for the interacting electronic system. This …

We have explored the effect of high pressure post-treatment in optimizing the properties of
carbon nanotube yarns and found that the application of dry hydrostatic pressure reduces …