

5 In such vertically stacked van der Waal’s heterostructures (vdWH), 6 the individual layers are ‘glued’ together by weak van der Waal’s (vdW) forces of interaction, 7 whereas the in-plane atoms are strongly bound by covalent or ionic bonds. Since these new materials inherit diverse electronic and opto-electronic properties, novel device functionalities could be engineered from such atomically thin interfaces. Advancement of nanofabrication technology has opened up the possibility of realizing interfaces at their ‘ultimate-limit’ by vertical stacking 1, 2, 3 or parallel stitching 4 of 2D materials. Since the proposed modeling framework translates atomic level phenomena (e.g., band-gap opening in graphene or introduction of semiconductor doping) to a circuit performance metric (e.g., frequency of a ring oscillator), it may provide solutions for the application and optimization of new materials.įunctionality of an electronic device originates from the interfacial properties of its constituent materials. Finally, the models are implemented in a circuit simulator to facilitate design and simulation of integrated circuits. The energy band-structure obtained is then used to develop a physics-based compact device model to assess transistor characteristics. In a multi-scale modeling approach, we start with the development of a first principles-based atomistic model to study fundamental electronic properties and charge transfer at the atomic level. Here, we propose an ‘atom-to-circuit’ modeling framework for all-2D MISFET (metal–insulator–semiconductor field-effect transistor), which has recently been conceived by vertically stacking semiconducting transition metal dichalcogenide (e.g., MoS 2), insulating hexagonal boron nitride and semi-metallic graphene.

Thus, first principles-based models that enable systematic performance evaluation of emerging 2D materials at device and circuit level are in great demand. In the semiconductor industry, however, the process of integration for any new material is expensive and complex. Vertical stacking of heterogeneous two-dimensional (2D) materials has received considerable attention for nanoelectronic applications.
