From the 1 of 135 linked papers with an AI index.
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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…
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…
Giant non-adiabatic effects in layer metals: Raman spectra of intercalated graphite explained
A. Marco Saitta, Michele Lazzeri, Matteo Calandra +1
The occurrence of non-adiabatic effects in the vibrational properties of metals have been predicted since the 60's, but hardly confirmed experimentally. We report the first fully \…
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…