Tight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolution
Tight-binding analysis of Si and GaAs ultrathin bodies with subatomic wave-function resolution
Empirical tight-binding (ETB) methods are widely used in atomistic device simulations. Traditional ways of generating the ETB parameters rely on direct fitting to bulk experiments or theoretical electronic bands. However, ETB calculations based on existing parameters lead to unphysical results in ultrasmall structures like the As-terminated GaAs ultrathin bodies (UTBs). …