  The strain effect on electronic structure and thermoelectric properties of
Higher Manganese Silicides (HMSs) Mn4Si7 was studied using Density Functional
Theory (DFT) and through solving Boltzman Transport Equation (BTE). We found
that the tensile strain attempts to reduce the band gap while the compressive
strain not much affect to band gap. The Seebeck coeficient was found to be
increased with increasing temperature, which is very consistent to experiments.
The electrical conductivity and power factor show highly degree of anisotropy,
where in-plane direction is more dominant. The different behavior of electrical
conductivity along in-plane and outof plane direction was explained due to the
change of band dispersion in the valence band maximum (VBM).
