2D materials for nanoelectronics: A first-principles investigation

Abstract

I present a first-principles investigations on electronic and transport properties of 2D materials for nanoelectronic applications. The study mainly focuses on transport properties of 2D materials and metal contacts, together with strain and electric field tunable electronic properties of heterostructures and nanoribbons based on 2D materials. Following topics are covered: 1) enhancing the efficiency of spin injection from ferromagnetic electrodes into graphene by h-BN tunnel barriers; 2) finding proper metal contacts to enhance the performance of MoS2 based FETs; 3) investigating strain and electric field tunable direct band gaps of MoS2/SiC heterostructures; 4) exploring electric field tunable electronic and transport properties of phosphorene nanoribbons.