5 papers
Measuring the intrinsic charge transfer gap using K-edge X-ray absorption spectroscopy
C. Gougoussis, M. Calandra, A. Seitsonen +3
Pre-edge features in X-ray absorption spectroscopy contain key information about the lowest excited states and thus on the most interesting physical properties of the system. In tr…
Pressure-induced order-disorder phase transition in superconducting CaC6
A. Gauzzi, N. Bendiab, M. d'Astuto +9
By means of synchrotron X-ray diffraction, we studied the effect of high pressure, P, up to 13 GPa on the room temperature crystal structure of superconducting CaC6. In this P rang…
Quest for high Tc in layered structures: the case of LiB
Matteo Calandra, Aleksey N. Kolmogorov, Stefano Curtarolo
Using electronic structure calculation we study the superconducting properties of the theoretically-devised superconductor MS1-LiB (LiB). We calculate the electron-phonon coupling…
Superconductivity in C6Ca
Matteo Calandra, Francesco Mauri
Using density functional theory we demonstrate that superconductivity in C6Ca is due to a phonon-mediated mechanism with electron-phonon coupling 0.83 and phonon-frequency logarith…
Numerical study of the two dimensional Heisenberg model by Green Function Monte Carlo at fixed number of walkers
M. Calandra, S. Sorella
We describe in detail a simple and efficient Green Function Monte Carlo technique for computing both the ground state energy and the ground state properties by the ``forward walkin…