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and NpCoGa
Maehira, Takahiro; Hotta, Takashi; Ueda, Kazuo; Hasegawa, Akira*
Physical Review Letters, 90(20), p.207007_1 - 207007_4, 2003/05
Times Cited Count：94 Percentile：92.38(Physics, Multidisciplinary)By using a relativistic linear augmented-plane-wave method, we clarify energy band structures and Fermi surfaces of recently discovered plutonium-based superconductor PuCoGa. We find several cylindrical sheets of Fermi surfaces with large volume, quite similar to CeMIn (M=Ir and Co) isostructural with PuCoGa, in spite of different 
-electron numbers between Ce
and Pu ions. This similarity is simply understood by a concept of electron-hole conversion in a tight binding model constructed based on the 
- coupling scheme. Due to the present results, we provide a possible scenario to explain why a transition temperature is so high as 18.5K in PuCoGa.
(T=Ir and Co) and analysis of the energy bands by using tight-binding methodMaehira, Takahiro; Hotta, Takashi; Ueda, Kazuo; Hasegawa, Akira*
Journal of the Physical Society of Japan, 72(4), p.854 - 864, 2003/04
Times Cited Count：75 Percentile：90.21(Physics, Multidisciplinary)In order to investigate electronic properties of recently discovered heavy fermion superconductors CeTIn (T=Ir and Co), we employ the relativistic linear augmented-plane-wave (RLAPW) method to clarify the energy band structures and Fermi surfaces of those materials.The obtained energy bands mainly due to the large hybridization between Ce 
and In 5
states well reproduce the Fermi surfaces consistent with the de Haas-van Alphen experimental results. For the purpose, we construct a tight-binding model for CeTIn by including - and - hoppings as well as - hybridization, which are expressed by the Slater-Koster integrals, determined by the direct comparison with the band-calculation result. Similarity and difference between CeIrIn and CeCoIn are discussed based on the obtained tight-binding model, suggesting a significant importance of the effect of crystalline electric field to understand the difference in electronic properties among CeTIn.
