Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: a comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used for analyzing the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. A partition method and a quasi-Fermi level method are the two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition that are tested and compared.