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

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

2011-02-06

arxiv.org/abs/1102.1190v1

EPL 95 (2011) 47007

Physics

Condensed Matter

Strongly Correlated Electrons

6 pages, 9 figures

Scientific paper

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.

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