Executive Summary : | The electronic structure calculation in 2D materials is challenging due to the loss of periodicity required in the Bloch theorem and the difficulty in calculating different crystals stacked on top of each other. The ab initio theory of moire superlattices has been successfully applied for G/G and G/BN heterojunctions, providing a reliable starting point for other researchers. Establishing the paradigms of electronics based on topological transport channels in insulating materials with conducting interfaces between domains is crucial. Topological insulators, often identified in traditional thermoelectric materials, have shown signatures of valley contrasting optical experiments and unconventional carrier transport behavior along topological channels. Finding suitable candidates for topological transport among 2D materials could lead to designs for electronic devices distinct from conventional CMOS technology with game-changing implications in electronics. Mapping uncharted territories in 2D materials and analizing the effects of electron interactions are fundamental basic science questions that can lead to new functionalities in 2D material-based devices like field effect transistors, electrodes of batteries/capacitors, photodetectors, energy harvesting, and superconductors. New cooperative effects of electrons in 2D materials are expected in regimes that had not been accessed earlier when quantum interfaces are scaled down to the limit of a single or few atoms. The large spin-orbit coupling involving transition metal atoms and the weak surface coupling in van der Waals materials make them excellent candidate systems to explore new frontiers in condensed matter. |