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arXiv 1004.4707cond-mat.str-elcond-mat.mtrl-sci
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基于$\mib{j}$-$\mib{j}$耦合方案的Yb和Tm化合物微观模型的构建

Construction of a Microscopic Model for Yb and Tm Compounds on the Basis of a $\mib{j}$-$\mib{j}$ Coupling Scheme

Takashi Hotta

摘要:

我们提供了一个处方,以构建一个微观模型的重镧系元素系统,如Yb和Tm化合物,利用$j$-$j$耦合方案。在这里,我们考虑一个大的自旋轨道耦合的情况下,其中$j$ = 5/2六重态被完全占据,而$j$ = 7/2八重态被部分占据,其中$j$表示总角动量。我们计算了$j$ = 7/2八重态的晶体电场势和库仑相互作用,构造了$j$-$j$耦合方案中的局域哈密顿量.然后,发现即使对于实际的自旋轨道耦合值,由$j$ = 7/2八重态组成的局部$f$-电子态与7个$f$轨道的局部$f$-电子态也相当一致。作为本模型应用的一个例子,我们讨论了Yb和Tm基填充方钴矿的低温多极态通过分析多极极化率的安德森模型在$j$-$j$耦合方案与使用的数值重整化群技术。通过与七轨道Anderson模型的数值结果的比较,可以得出结论:即使在考虑导电和$f$电子杂化的情况下,$j$-$j$耦合模型也能很好地再现多极态.最后,我们简要地讨论了本处方在重镧系化合物理论研究中的应用前景。

英文摘要:

We provide a prescription to construct a microscopic model for heavy lanthanide systems such as Yb and Tm compounds by exploiting a $j$-$j$ coupling scheme. Here we consider a situation with a large spin-orbit coupling, in which $j$=5/2 sextet is fully occupied, while $j$=7/2 octet is partially occupied, where $j$ denotes total angular momentum. We evaluate crystalline electric field potentials and Coulomb interactions among the states of the $j$=7/2 octet to construct a local Hamiltonian in the $j$-$j$ coupling scheme. Then, it is found that the local $f$-electron states composed of the $j$=7/2 octet agree quite well with those of seven $f$ orbitals even for a realistic value of the spin-orbit coupling. As an example of the application of the present model, we discuss low-temperature multipole states of Yb- and Tm-based filled skutterudites by analyzing multipole susceptibility of the Anderson model in the $j$-$j$ coupling scheme with the use of a numerical renormalization group technique. From the comparison with the numerical results of the seven-orbital Anderson model, it is concluded that the multipole state is also well reproduced by the $j$-$j$ coupling model, even when we include the hybridization between conduction and $f$ electrons for the realistic value of the spin-orbit coupling. Finally, we briefly discuss future applications of the present prescription for theoretical research on heavy lanthanide compounds.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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