Related papers: Exciton spectroscopy of hexagonal boron nitride us…
We present an ab initio computational approach for the calculation of resonant Raman intensities, including both excitonic and non-adiabatic effects. Our diagrammatic approach, which we apply to two prototype, semiconducting layered…
Understanding and controlling the way excitons propagate in solids is a key for tailoring materials with improved optoelectronic properties. A fundamental step in this direction is the determination of the exciton energy-momentum…
We report resonant inelastic X-ray scattering (RIXS) measurements on the prototypical hexagonal boron nitride hBN layered compound. The RIXS results at the B and N K edges have been combined with electron energy loss spectroscopy (EELS)…
The strong excitonic emission at 5.75 eV of hexagonal boron nitride (h-BN) makes this material one of the most promising candidate for light emitting devices in the far ultraviolet (UV). However, single excitons occur only in perfect…
Boron nitride single layer belongs to the family of 2D materials whose optical properties are currently receiving considerable attention. Strong excitonic effects have already been observed in the bulk and still stronger effects are…
A new interpretation of the optical and energy-loss spectra of hexagonal boron nitride is provided based on first-principle calculations. We show that both spectra cannot be explained by independent-particle transitions but are strongly…
The electronic and optical properties of 2D hexagonal boron nitride are studied using first principle calculations. GW and BSE methods are employed in order to predict with better accuracy the excited and excitonic properties of this…
Excitons -- elementary excitations formed by bound electron-hole pairs -- govern the optical properties and excited-state dynamics of materials. In two-dimensions (2D), excitons are theoretically predicted to have a linear energy-momentum…
Exciton-phonon interactions play a central role in defining the optical response of hexagonal boron nitride (hBN), yet their quantitative determination has remained incomplete. Here, we reveal the Fr\"ohlich-type exciton-phonon coupling in…
In this letter we report a thorough analysis of the exciton dispersion in bulk hexagonal boron nitride. We solve the ab initio GW Bethe-Salpeter equation at finite $\mathbf{q}\parallel \Gamma K$, and we compare our results with recent…
The calculated quasiparticle band structure of bulk hexagonal boron nitride using the all-electron GW approximation shows that this compound is an indirect-band-gap semiconductor. The solution of the Bethe-Salpeter equation for the…
We present a general picture of the exciton properties of layered materials in terms of the excitations of their single-layer building blocks. To this end, we derive a model excitonic hamiltonian by drawing an analogy with molecular…
Hexagonal boron nitride (hBN) is a wide band gap material with both strong excitonic light emission in the ultraviolet and strong exciton-phonon coupling. Luminescence experiments performed on the recently synthesized monolayer form (m-hBN)…
Defects in hexagonal boron nitride (hBN) exhibit single-photon emission (SPE) and are thus attracting broad interest as platforms for quantum information and spintronic applications. However, the atomic structure and the specific impact of…
Hexagonal boron nitride (h-BN) is a 2D, wide band-gap semiconductor that has recently been shown to display bright room-temperature emission in the visible region, sparking immense interest in the material for use in quantum applications.…
The excitonic insulator, a quantum mechanical state arising from exciton condensation, was proposed theoretically many years ago but has yet to be experimentally confirmed. The discovery of correlated transition metal oxides based on $4d$…
We combine electron energy-loss spectroscopy and first-principles calculations based on density-functional theory (DFT) to identify the lowest indirect exciton state in the in-plane charge response of hexagonal boron nitride (h-BN) single…
Hexagonal boron nitride is an indirect band gap material with a strong luminescence in the ultraviolet. This luminescence originates from bound excitons recombination assisted by different phonon modes. The coupling between excitons and…
We demonstrate that the valence energy-loss function of hexagonal boron nitride (hBN) displays a strong anisotropy in shape, excitation energy and dispersion for momentum transfer q parallel or perpendicular to the hBN layers. This is…
We investigate the rotational properties of molecular hydrogen and its isotopes physisorbed on the surfaces of graphene and hexagonal boron nitride ($h$-BN), grown on Ni(111), Ru(0001), and Rh(111), using rotational excitation spectroscopy…