Electronic Structure of the Ce Systems. II. Results

Several electronic structures are determined of some Ce systems, the effects of the Coulomb correlation analyzed together with the spd/f hybridization by means of the pseudopotential model described in the paper I of this series. Firstly, the electronic structure is determined of the γ‐α‐transition of CeAl2. The features of this isostructural transition are: an increase of the 4f coupling with other bandstates; a widening of the 4f band and a light decrease of the 4f population. All these features are quantitatively determined and it is concluded that the pressure effect is the cause of the loss of the magnetic order and this leads to the increase of the spd/f hybridization, the 4f band broadening, and the decrease of the f‐count. In addition, the electronic structure of CeOs2 is determined whose band structure presents certain similarity with that of the α‐phase of CeAl2 and moreover this compound presents a clear heavy fermion behaviour, including a superconducting transition. Copyright © 1986 WILEY‐VCH Verlag GmbH & Co. KGaA