Francesco Mauri

Raman Spectrum of Graphene and Graphene Layers

Graphene is the two-dimensional building block for carbon allotropes of every other dimensionality. We show that its electronic structure is captured in its Raman spectrum that ...

Phonon-mediated superconductivity in graphene by lithium deposition

Wannier and Bloch orbital computation of the nonlinear susceptibility

We present a method to compute high-order derivatives of the total energy of a periodic solid with respect to a uniform electric field. We apply the 2n + 1 theorem to a recently...

Density-functional theory of the nonlinear optical susceptibility: Application to cubic semiconductors

We present a general scheme for the computation of the time dependent (TD) quadratic susceptibility (χ(2)) of an extended insulator obtained by applying the ‘2n + 1 ’ theorem to...