First-principles study of electronic properties of biaxially strained silicon: effects on charge carrier mobility

Using first-principles method, we calculate the electronic band structure of biaxially strained silicon, from which we analyze the change in electron and hole effective mass as a function of strain and determine the mobility of electrons and holes in the biaxially strained silicon based on Boltzmann transport theory. We found that electron mobility increases with tensile strain and decreases with compressive strain. Such changes are mainly caused by a strain-induced change in electron effective mass, while the suppression of intervalley scattering plays a minor role. On the other hand, the hole mobility increases with both signs of strain and the effect is more significant for compressive strain because the hole effective mass decreases with compressive strain but increases with tensile strain. The strain-induced suppression of interband and intraband scatterings plays also an important role in changing the hole mobility.