Electronic structures and magnetic properties of layered compound RCrSb3 (R=La,Yb)

Abstract

RCrSb3 (R: rare-earth ions) exhibits unconventional magnetic behaviors due to their layered structures and the complex interactions of Cr 3d and R 4f electrons. We have explored the electronic structures of LaCrSb3, YbCrSb3, and also LaVSb3 for a comparison by using the linearized muffin-tin orbital band method. For LaCrSb3 and LaVSb3, the rigid band model is well applicable to understanding their electronic and magnetic states. However, for LaCrSb3 and YbCrSb3, the extension of the rigid band model fails, because Yb ions in YbCrSb3 are in a divalent state of Yb2+ with fully occupied 4f bands, which differ from the trivalent La3+ in LaCrSb3. (c) 2007 American Institute of Physics.