Article ID Journal Published Year Pages File Type
1816062 Physica B: Condensed Matter 2007 5 Pages PDF
Abstract

The electronic band structure of YbCuAl has been calculated using the self-consistent full potential nonorthogonal local orbital minimum basis scheme based on the density functional theory. We investigated the electronic structure with the spin–orbit interaction and on-site Coulomb potential for the Yb-derived 4f orbitals to obtain the correct ground state of YbCuAl. The exchange interaction between local f electrons and conduction electrons play an important role in the heavy fermion characters of them. The fully relativistic band structure scheme shows that spin–orbit coupling splits the 4f states into two manifolds, the 4f7/2 and the 4f5/2 multiplet.

Related Topics
Physical Sciences and Engineering Physics and Astronomy Condensed Matter Physics
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