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We present a neutron spectroscopy based method to study quantitatively the partial miscibility and phase behaviour of an organic photovoltaic active layer made of conjugated polymer:small molecule blends, presently illustrated with the…
Through the use of perturbation theory, in this work we develop a method which allows for a substantial reduction in the size of the plane-wave basis used in density-functional calculations. This method may be used for both pseudopotentials…
Monolayer hexagonal boron nitride (hBN) has recently become the focus of intense research as a material to host quantum emitters. Although it is well known that such emission is associated with point defects, so far no conclusive…
The ability to locally activate or generate quantum emitters in two-dimensional materials is of major interest for the realization of integrated quantum photonic devices. In particular, hexagonal boron nitride (hBN) has recently been shown…
UV Raman scattering studies show longitudinal optical (LO) mode up to 4th order in wurtzite GaN nanowire system. Frohlich interaction of electron with the long range electrostatic field of ionic bonded GaN gives rise to enhancement in LO…
Using the first-principles GW-Bethe-Salpeter equation method, here we study the excited-state properties, including quasi-particle band structures and optical spectra, of phosphorene, a two-dimensional (2D) atomic layer of black phosphorus.…
Orthogonal wavelet transforms are a cornerstone of modern signal and image denoising because they combine multiscale representation, energy preservation, and perfect reconstruction. In this paper, we show that these advantages can be…
Surface phonon polaritons are hybrid modes of photons and optical phonons that can propagate on the surface of a polar dielectric. In this work, we show that the precise combination of confinement and bandwidth offered by surface phonon…
We study the collective photon decay of multiple quantum emitters embedded in a thin high-index dielectric layer such as hexagonal boron nitride (hBN), with and without a metal substrate. We first explore the significant role that guided…
We present a novel measurement approach which combines the electrical characterization of solution-gated field effect transistors based on epitaxial bilayer graphene on 4H-SiC (0001) with simultaneous Raman spectroscopy. By changing the…
For many materials, Raman spectra are intricately structured and provide valuable information about compositional stoichiometry and crystal quality. Here we use density-functional theory calculations, mass approximation, and the Raman…
Ab initio calculations within the density-functional theory formalism are performed to investigate the chemical functionalization of a graphene-like monolayer of silicon - silicene - with B, N, Al or P atoms. The structural, electronic,…
High energy electron beams can now be routinely focused to 1-2 {\AA} and offer the ability to obtain vibrational information from materials using monochromated electron energy-loss spectroscopy (EELS) in a scanning transmission electron…
Transition metal dichalcogenide monolayers are promising candidates for exploring new electronic and optical phenomena and for realizing atomically thin optoelectronic devices. They host tightly bound electron-hole pairs (excitons) that can…
There is a growing interest in identifying the origin of single-photon emission in hexagonal boron nitride (hBN), with proposed candidates including boron and nitrogen vacancies as well as carbon substitutional dopants. Because photon…
We present a detailed theoretical study of the transfer of electronic excitation energy through the Fenna-Matthews-Olson (FMO) pigment-protein complex, using the new developed modified scaled hierarchical approach [Shi Q. et al, J Chem Phys…
Since the rising of graphene, boron nitride monolayers have been deeply studied due to their structural similarity with the former. A hexagonal graphene-like boron-carbon-nitrogen (h-BCN) monolayer was synthesized recently using bis-BN…
Stokes and anti-Stokes Raman scattering are performed on atomic layers of hexagonal molybdenum ditelluride (MoTe2), a prototypical transition metal dichalcogenide (TMDC) semiconductor. The data reveal all six types of zone center optical…
Transition metal dichalcogenide monolayers and heterostructures are highly tunable material systems that provide excellent models for physical phenomena at the two-dimensional (2D) limit. While most studies to date have focused on electrons…
Hexagonal boron nitride (hBN) plays a central role in nanoelectronics and nanophotonics. Moreover, hBN hosts room-temperature quantum emitters and optically addressable spins, making it promising for quantum sensing and quantum photonics.…