Heterostacks consisting of low-dimensional materials are attractive candidates for future
electronic nanodevices in the post-silicon era. In this paper, using first-principles …

Metal contacts form one of the main limitations for the introduction of 2D materials in next-
generation scaled devices. Through ab-initio simulation techniques, we shed light on the …

Van der Waals heterostructure (vdWH) has attracted considerable interest because of its
ability to combine the excellent properties of stacked materials to suit different application …

After more than five decades, Moore's Law for transistors is approaching the end of the
international technology roadmap of semiconductors (ITRS). The fate of complementary …

We present a novel method of modeling the contact between a metal and a two-dimensional
semiconductor. Using Au on MoS 2 as an example, we self-consistently solve the …

The era of ime domain and multi-messenger astronomy is not only leading to the
development of a much broader set of detectors and instruments for astrophysical …

Electronic structures of non-twisted and twisted WTe 2/WSe 2 heterojunction bilayers were
investigated using first-principles calculations. Our results show that, for the twisted WTe …

Nanodevices based on monolayer black phosphorus or phosphorene are promising for
future electron devices in high density integrated circuits. We investigate bandstructure and …

In this work we present a highly efficient method to perform quantum transport simulations
on atomistic devices with metal contacts. In particular, we consider lateral heterostructures of …

Using first-principles calculations and non-equilibrium Green's function, we study the
topologically-protected carrier transport in the edges of topological insulator ribbons. We …