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High pressure X-ray diffraction measurements have been carried out on theintermetallic semiconductor FeGa$_3$ and the equation of state for FeGa$_3$ hasbeen determined. First principles based DFT calculations within the GGAapproximation indicate that although the unit cell volume matches well with theexperimentally obtained value at ambient pressure, it is significantlyunderestimated at high pressures and the difference between them increases aspressure increases. GGA + U calculations with increasing values of U$_{Fe(3d)}$(on-site Coulomb repulsion between the Fe 3d electrons) at high pressures,correct this discrepancy. Further, the GGA+U calculations also show that alongwith U$_{Fe(3d)}$, the Fe 3d band width also increases with pressure and arounda pressure of 4 GPa, a small density of states appear at the Fermi level. Highpressure resistance measurements carried out on FeGa$_3$ also clearly show asignature of an electronic transition. Beyond the pressure of 19.7 GPa, thediffraction peaks reduce in intensity and are not observable beyond $\sim$ 26GPa, leading to an amorphous state.

High pressure studies on properties of FeGa3: role of on-site coulomb correlation