ELECTRONIC BAND-STRUCTURE OF YBINCU4 AND LUINCU4

One-electron energy band structure for LuInCu4, which is a proper reference material for the study of the valence transition in YbInCu4, is calculated by a self-con-sistent APW method with the local density approximation. The calculated result shows that the compound is the semimetal. This property is consistent with the observed unusual behavior. In order to estimate the mixing term between the 4f electron and the valence and conduction electrons, the energy band structure for YbInCu4 is also calculated. The obtained result is followings; (pfσ) = 0.27 eV for Yb 4f and Cu p states and (dfσ)= −0.14 eV for Lu 4f and Cu 3d states. These values are nearly same order as those of Ce compounds. © 1990, THE PHYSICAL SOCIETY OF JAPAN. All rights reserved.