Abstract
We investigated the electronic structures of PuX 2 (X = Ru, Rh, and Ir) by using the relativistic linear augmented-plane-wave (RLAPW) method with the exchange–correration potential in the local density approximation. We found that the energy bands near the Fermi level are mainly because of the hybridization between the Pu 5 f and X d electrons. These compounds are compensated metals because of having two chemical units in the unit cell. The Fermi surface of PuRh 2 is found to consists of two hole sheets and two electron sheets. The large, approximately spherical hole sheet of the Fermi surface explains one of the major frequency branches of the de Haas–van Alphen effect in the order 10 7 Oe.
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