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Simple calculation of hybridization effects in UTX and U2T2X compounds

1995; Elsevier BV; Volume: 206-207; Linguagem: Inglês

10.1016/0921-4526(94)00351-u

1873-2135

K. Prokeš, E. Brück, H. Nakotte, P.F. de Châtel, F.R. de Boer,

Physics of Superconductivity and Magnetism

The band widths of several UTX and U2T2X compounds (T: transition metal, X: p-metal) are evaluated by means of a tight-binding method. The magnetism in both groups of compounds is governed by the hybridization between U f-states and transition-metal d-states. Comparing the sum of all hybridization effects, we find approximately the same hybridization effects in both groups of compounds. We also observe a decrease of the band width with increasing atomic number Z within a transition-metal series. By comparing the band width with the theoretical critical energies for the f3 and f2 configurations, it is in some cases possible to predict whether the ground state is magnetically ordered or not.