21 resultados para 63, 22 p.
Resumo:
We report experimental studies of crystals of Mn12 molecular magnetic clusters in pulsed magnetic fields with sweep rates up to 410^3 T/s . The steps in the magnetization curve are observed at fields that are shifted with respect to the resonant field values. The shift systematically increases as the rate of the field sweep goes up. These data are consistent with the theory of the collective dipolar relaxation in molecular magnets.
Resumo:
The magnetic coupling constant of selected cuprate superconductor parent compounds has been determined by means of embedded cluster model and periodic calculations carried out at the same level of theory. The agreement between both approaches validates the cluster model. This model is subsequently employed in state-of-the-art configuration interaction calculations aimed to obtain accurate values of the magnetic coupling constant and hopping integral for a series of superconducting cuprates. Likewise, a systematic study of the performance of different ab initio explicitly correlated wave function methods and of several density functional approaches is presented. The accurate determination of the parameters of the t-J Hamiltonian has several consequences. First, it suggests that the appearance of high-Tc superconductivity in existing monolayered cuprates occurs with J/t in the 0.20¿0.35 regime. Second, J/t=0.20 is predicted to be the threshold for the existence of superconductivity and, third, a simple and accurate relationship between the critical temperatures at optimum doping and these parameters is found. However, this quantitative electronic structure versus Tc relationship is only found when both J and t are obtained at the most accurate level of theory.
Resumo:
The electronic structure of an isolated oxygen vacancy in SrTiO3 has been investigated with a variety of ab initio quantum mechanical approaches. In particular we compared pure density functional theory (DFT) approaches with the Hartree-Fock method, and with hybrid methods where the exchange term is treated in a mixed way. Both local cluster models and periodic calculations with large supercells containing up to 80 atoms have been performed. Both diamagnetic (singlet state) and paramagnetic (triplet state) solutions have been considered. We found that the formation of an O vacancy is accompanied by the transfer of two electrons to the 3d(z2) orbitals of the two Ti atoms along the Ti-Vac-Ti axis. The two electrons are spin coupled and the ground state is diamagnetic. New states associated with the defect center appear in the gap just below the conduction band edge. The formation energy computed with respect to an isolated oxygen atom in the triplet state is 9.4 eV.
Resumo:
This article was delivered as an area-paper to the Critical Political Science Meeting of Bilbao, November the 15th 2008, which was organized by the Political Science Department of the UPV (University of the Basque Country). The paper introduces an updated and synthetic version of the model designed by S.M. Lipset and S. Rokkan in 1967 in order to identify the confrontational divides distinctive of European modernization and, in this way, trace the origins of modern party systems. The expanded model proposed is applied, on the one hand, to a variety of empirical cases, prominently the postransitional Spanish case; and on the other, shows its usefulness in order to better understand the distinctive structure of the social conflict of the globalization era.
Resumo:
Materials didà ctics del grup d'investigació Observatori sobre la Didà ctica de les Arts (ODAS)
Resumo:
Materials didà ctics del grup d'investigació Observatori sobre la Didà ctica de les Arts (ODAS)