ELECTRONIC AND MAGNETIC STRUCTURES OF EUB6: THE EFFECTS OF PRESSURE AND DOPING

Abstract

We have theoretically investigated the effects of pressure and doping on the electronic and magnetic properties of EuB6. We have obtained the ferromagnetic (FM) semimetallic ground state with one Eu 5d electron pocket and one B 2p hole pocket for each spin. B-site doping by Be and C induces the hole and electron doping, respectively. On the other hand, vacancy and La doping at Eu-site induce the hole and electron doping, respectively. The electron doping and the pressure enhance the FM interaction between Eu atoms, while the hole doping reduces that. (C) 2006 Elsevier B. V. All rights reserved.