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Electronic and optical properties of Cadmium fluoride: the role of many-body effects
Giancarlo Cappellini, Jürgen Furthmüller, Emiliano Cadelano +1
Electronic excitations and optical spectra of are calculated up to ultraviolet employing state-of-the-art techniques based on density functional theory and many-body pert…
The effect of the hydrogen coverage on the Young modulus of graphene
Emiliano Cadelano, Luciano Colombo
We blend together continuum elasticity and first principles calculations to measure by a computer experiment the Young modulus of hydrogenated graphene. We provide evidence that hy…
Electronic structure of fluorides: general trends for ground and excited state properties
Emiliano Cadelano, Giancarlo Cappellini
The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The grou…