Zobrazeno 1 - 10
of 48
pro vyhledávání: '"Bersier, C."'
Finite temperature density functional theory provides, in principle, an exact description of the thermodynamical equilibrium of many-electron systems. In practical applications, however, the functionals must be approximated. Efficient and physically
Externí odkaz:
http://arxiv.org/abs/1008.0586
Autor:
Monni, M., Bernardini, F., Profeta, G., Sanna, A., Sharma, S., Dewhurst, J. K., Bersier, C., Continenza, A., Gross, E. K. U., Massidda, S.
Publikováno v:
Phys. Rev. B 81, 104503 (2010)
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 spin fluctuations and can be expressed in terms of the magnetic susce
Externí odkaz:
http://arxiv.org/abs/1001.5154
Autor:
Sharma, S., Shallcross, S., Dewhurst, J. K., Sanna, A., Bersier, C., Glawe, H., Gross, E. K. U.
Using state-of-the-art first-principles calculations we study the magnetic behaviour of CeOFeAs. We find the Ce layer moments oriented perpendicular to those of the Fe layers. An analysis of incommensurate magnetic structures reveals that the Ce-Ce m
Externí odkaz:
http://arxiv.org/abs/0903.2356
Autor:
Bersier, C., Floris, A., Cudazzo, P., Profeta, G., Sanna, A., Bernardini, F., Monni, M., Pittalis, S., Sharma, S., Glawe, H., Continenza, A., Massidda, S., Gross, E. K. U.
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 electron-phonon and electron-electron interactions combine together to d
Externí odkaz:
http://arxiv.org/abs/0902.1952
Autor:
Massidda, S., Bernardini, F., Bersier, C., Continenza, A., Cudazzo, P., Floris, A., Glawe, H., Monni, M., Pittalis, S., Profeta, G., Sanna, A., Sharma, S., Gross, E. K. U.
Superconductivity in intercalated graphite CaC6 and H under extreme pressure, in the framework of superconducting density functional theory, is discussed. A detailed analysis on how the electron-phonon and electron-electron interactions combine toget
Externí odkaz:
http://arxiv.org/abs/0811.2194
Autor:
Sharma, S., Dewhurst, J. K., Shallcross, S., Bersier, C., Cricchio, F., Sanna, A., Massidda, S., Gross, E. K. U., Nordström, L.
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 results in an orthorhombic ground state and (ii) there is a commensura
Externí odkaz:
http://arxiv.org/abs/0810.4278
Autor:
Bersier, C., Floris, A., Sanna, A., Profeta, G., Continenza, A., Gross, E. K. U., Massidda, S.
We report first-principles calculations on the normal and superconducting state of CaBe(x)Si(2-x) (x=1), in the framework of density functional theory for superconductors (SCDFT). CaBeSi is isostructural and isoelectronic to MgB2 and this makes possi
Externí odkaz:
http://arxiv.org/abs/0803.1044
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-electron ab-initio cluster calculations for clusters comprising up to
Externí odkaz:
http://arxiv.org/abs/0711.1606
The local electronic structure of Nd2CuO4 is determined from ab-initio cluster calculations in the framework of density functional theory. Spin-polarized calculations with different multiplicities enable a detailed study of the charge and spin densit
Externí odkaz:
http://arxiv.org/abs/cond-mat/0511227
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 copper atoms in the cuprate plane of La$_2$CuO$_4$, YBa$_2$Cu$_3$O$_7$
Externí odkaz:
http://arxiv.org/abs/cond-mat/0504562