Effective Crystalline Electric Field Potential in a j-j Coupling Scheme(Condensed matter: electronic structure and electrical, magnetic, and optical properties)

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概要

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• We propose an effective model on the basis of a j-j coupling scheme to describe local f-electron states for realistic values of Coulomb interaction U and spin-orbit coupling λ, for future development of microscopic theory of magnetism and superconductivity in f^n-electron systems, where n is the number of local f electrons. The effective model is systematically constructed by including the effect of a crystalline electric field (CEF) potential in the perturbation expansion in terms of 1/λ. In this paper, we collect all the terms up to the first order of 1/λ. Solving the effective model, we show the results of the CEF states for each case of n=2-5 with O_h symmetry in comparison with those of the Stevens Hamiltonian for the weak CEF. In particular, we carefully discuss the CEF energy levels in an intermediate coupling region with λ/U in the order of 0.1 corresponding to actual f-electron materials between the LS and j-j coupling schemes. Note that the relevant energy scale of U is the Hund's rule interaction. It is found that the CEF energy levels in the intermediate coupling region can be quantitatively reproduced by our modified j-j coupling scheme, when we correctly take into account the corrections in the order of 1/λ in addition to the CEF terms and Coulomb interactions which remain in the limit of λ=∞. As an application of the modified j-j coupling scheme, we discuss the CEF energy levels of filled skutterudites with T_h symmetry.

• 社団法人日本物理学会の論文
• 2006-12-15

著者

• HARIMA Hisatomo

  Department of Physics, Faculty of Science, Kobe University

• Harima Hisatomo

  Department Of Physics Faculty Of Science Kobe University

• Harima Hisatomo

  Department Of Condensed Matter Physics The Institute Of Scientific And Industrial Research Osaka Uni

• HOTTA Takashi

  Advanced Science Research Center, Japan Atomic Energy Research Institute

• Hotta Takashi

  Advanced Science Research Center Japan Atomic Energy Agency

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