104 citations · 192 across the 9 of their papers we have counts for
8 papers · 1 filter
Superconducting Chevrel phase PbMoS from first principles
Giovanni Marini, Antonio Sanna, Camilla Pellegrini +3
Chevrel ternary superconductors show an intriguing coexistence of molecular aspects, large electron-phonon and electron-electron correlations, which to some extent still impedes th…
Static and Dynamical Susceptibility of LaO1-xFxFeAs
M. Monni, F. Bernardini, G. Profeta +7
The mechanism of superconductivity and magnetism and their possible interplay have recently been under debate in pnictides. A likely pairing mechanism includes an important role of…
Multiband superconductivity in Pb, H under pressure and CaBeSi from {\it ab-initio} calculations
C. Bersier, A. Floris, P. Cudazzo +10
Superconductivity in Pb, H under extreme pressure and CaBeSi, in the framework of the density functional theory for superconductors, is discussed. A detailed analysis on how the el…
Role of Coulomb interaction in the superconducting properties of CaC6 and H under pressure
S. Massidda, F. Bernardini, C. Bersier +10
Superconductivity in intercalated graphite CaC6 and H under extreme pressure, in the framework of superconducting density functional theory, is discussed. A detailed analysis on ho…
Magnetic properties of LaOFFeAs
S. Sharma, J. K. Dewhurst, S. Shallcross +6
Using state-of-the-art first-principles calculations we have elucidated the complex magnetic and structural dependence of LaOFeAs upon doping. Our key findings are that (i) doping…
Ab initio calculations of the electronic structure of cuprates using large scale cluster techniques
S. Renold, C. Bersier, E. P. Stoll +1
The local electronic structures of La2CuO4, three members of the Yttrium-family (YBa2Cu3O6, YBa2Cu3O7, and YBa2Cu4O8), and to some extent of Nd2CuO4 have been determined using all-…