40 citations · 51 across the 4 of their papers we have counts for
6 papers · 1 filter
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-…
First principles study of local electronic and magnetic properties in pure and electron-doped NdCuO
C. Bersier, S. Renold, E. P. Stoll +1
The local electronic structure of Nd2CuO4 is determined from ab-initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with differen…
Charge and spin density distributions around Zn impurities in cuprates
C. Bersier, S. Renold, E. P. Stoll +1
The effect of zinc substitution on the local electronic structure of several cuprates is investigated using first-principles cluster calculations. Clusters comprising 5, 9, and 13…