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Electronic structures of FeSi and Fe$_{1.02}$Si$_{0.98}$ under pressure(achieved through volume compression) have been investigated by using DFT+DMFTand KKR-CPA methods, respectively. The widening of band-gap with increasingpressure suggests that the experimentally observed insulator to metaltransition temperature should shift towards the higher temperature for FeSi.KKR-CPA calculations have shown the presence of impurity states in the gappedregion which predicts the half-metallic nature. The closure of gap (in one spinchannel) with pressure increment appears to be responsible for experimentallyobserved semiconductor to metal transition in Fe excess samples at atemperature below 50 K. Magnetic moments at Fe excess sites are found to bedecreasing with increasing pressure from 2.4 $\mu_B$ per Fe atom (612 Bohr$^3$)to 1.2 $\mu_B$ per Fe atom (507 Bohr$^3$). Moreover, for FeSi the calculatedlocal spin susceptibility has shown decreasing behavior with pressure risesimilar to experimental result.

Understanding the temperature and pressure dependent electronic properties of FeSi: DFT+DMFT study