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J. Phys. Soc. Jpn. 75S (2006) pp. 262-265  |Previous Article| |Next Article|  |Table of Contents|
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Proc. of 5th Int. Symposium on ASR-WYP-2005 – Advances in the Physics and Chemistry of Actinide Compounds –

Relativistic Band-Structure Calculation for PrCoIn5: A Theoretical Approach to Pr-Based Compound from Itinerant Picture

Takahiro Maehira1 and Takashi Hotta2

1Faculty of Science, University of The Ryukyus, Nishihara, Okinawa 903-0213
2Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195

We calculate energy band structure and the Fermi surface of PrCoIn5 by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in a local density approximation. It is found in common with other rare-earth and actinide compounds with the HoCoGa5-type tetragonal crystal structure that the energy bands in the vicinity of the Fermi level are mainly due to the large hybridization between Pr 4f and In 5p electrons. The Fermi surface is found to consist of a large quasi-two-dimensional hole sheet. We discuss the comparison of our Fermi surface with experimental results on PrCoIn5.

URL: http://jpsj.ipap.jp/link?JPSJS/75S/262/
DOI: 10.1143/JPSJS.75S.262


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