Paper detail

Microscopic model for the semiconductor-to-ferromagnetic-metal transition in FeSi$_{1-x}$Ge$_{x}$ Alloys

The simplified bandstructure introduced by Mazurenko et al to model FeSi is used to analyze the singlet semiconductor to ferromagnetic metal transition in the isoelectronic isostructural alloys, FeSi$_{1-x}$Ge$_x$. The complex bandstructure of the alloy is replaced by an alternating chain of doubly and singly degenerate atoms to represent Fe and Si/Ge respectively. The former(latter) form narrow(broad) bands with a substantial hybridization between them. A substantial onsite repulsion including a Hund's rule coupling is introduced on the Fe sites. The mean field phase diagram contains a first order phase transition from the singlet semiconductor to a ferromagnetic metal with increasing temperature and interaction strength similar to the alloys. The analysis also reproduces the rapid rise of the spin susceptibility in the semiconductor with a crossover to a Curie-Weiss form at higher temperatures. Good agreement is found at zero temperature between the mean field and accurate DMRG calculations.