8 citations · 8 across the 4 of their papers we have counts for
4 papers
K-edge XANES of octahedral aluminum compounds: similarities and differences via the analysis of excitonic properties
Newman Amoyaw, Abezu Agegnehu, Francesco Sottile +2
This study presents an \textit{ab initio} investigation of the XANES spectra at the aluminum K edge for three compounds: AlO, AlF and AlCl, where the Al atoms share…
Connections between resonant inelastic x-ray scattering and complementary x-ray spectroscopies: probing excitons at Al K and L edges of -AlO
M. Laura Urquiza, Matteo Gatti, Francesco Sottile
We present an ab initio study of neutral core and valence electronic excitations in α-Al2O3 by solving the Bethe-Salpeter equation (BSE) of many-body perturbation theory within an…
Pseudopotential Bethe-Salpeter calculations for shallow-core x-ray absorption near-edge structures: excitonic effects in Al2O3
M. Laura Urquiza, Matteo Gatti, Francesco Sottile
We present an ab initio description of optical and shallow-core x-ray absorption spectroscopies in a unified formalism based on the pseudopotential plane-wave method at the level o…
Schottky barriers, emission regimes and contact resistances in 2H-1T' MoS lateral metal-semiconductor junctions from first-principles
M. Laura Urquiza, Xavier Cartoixà
We have studied the finite bias transport properties of a 2H-1T' MoS lateral metal-semiconductor (M-S) junction by non-equilibrium Green's functions calculations, aimed at cont…