10 papers · 1 filter
Thermodynamic stabilities of ternary metal borides: An ab initio guide for synthesizing layered superconductors
Aleksey N. Kolmogorov, Matteo Calandra, Stefano Curtarolo
Density functional theory calculations have been used to identify stable layered Li--B crystal structure phases derived from a recently proposed binary metal-sandwich (MS) lithi…
High T superconductivity in superhard diamond-like BC
Matteo Calandra, Francesco Mauri
Using density functional theory calculations we show that the recently-synthesized, superhard diamond-like BC is superconducting with a critical temperature of the same order t…
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…
Electron-phonon coupling and electron self-energy in electron-doped graphene: calculation of angular resolved photoemission spectra
Matteo Calandra, Francesco Mauri
We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from densi…
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…
Possibility of superconductivity in graphite intercalated with alkaline earths investigated with density functional theory
Matteo Calandra, Francesco Mauri
Using density functional theory we investigate the occurrence of superconductivity in AC with A=Mg,Ca,Sr,Ba. We predict that at zero pressure, Ba and Sr should be superconducti…