The effect of uniaxial mechanical stress on electronic and dynamic properties of silicon

Abstract

This study explores the variation of highly symmetric points in the band structure, revealing a shift from G-X symmetric K path to Z-G path under the influence of mechanical stress. Notably, the band gap decreased linearly with increasing mechanical stress, while the effective mass of the electron, heavy hole, and light hole exhibited different trends. The variation of band gap, effective mass of electron, heavy and light holes, electron affinity, dielectric constant in x and y direction has been found to be -0.1238 eV/GPa, -6E-3 1/GPa, -7.9E-3 1/GPa, 1.4E-2 1/GPa, 4.7e-2 eV/GPa, 7.3e-2 1/GPa and -10.3e-2 1/GPa, respectively.