Atomic disorder scattering in emerging transistors by parameter-free first principle modeling

A parameter-free first principle modeling methodology is reported with emphasis on simulating effects of atomistic disorder in nano-scale transistors. The technique is based on the developed theory of nonequilibrium coherent potential approximation and a linear scaling sparse Hamiltonian implementation. Using this technique, effects of disorder scattering to the quantum transport properties of a boron-nitrogen (B-N) co-doped graphene tunnel field effect transistor (TFET) is investigated.