Alexandra Carvalho

Strain-Induced Gap Modification in Black Phosphorus

The band structure of single-layer black phosphorus and the effect of strain are predicted using density functional theory and tight-binding models. Having determined the locali...

2D materials and van der Waals heterostructures

BACKGROUND Materials by design is an appealing idea that is very hard to realize in practice. Combining the best of different ingredients in one ultimate material is a task for ...

Spin–orbit proximity effect in graphene

Band nesting and the optical response of two-dimensional semiconducting transition metal dichalcogenides

We have studied the optical conductivity of two-dimensional (2D)\nsemiconducting transition metal dichalcogenides (STMDC) using ab-initio density\nfunctional theory (DFT). We fi...

Valley physics in tin (II) sulfide

Tin (II) sulfide (SnS) is a layered mineral found in nature. In this paper, we study the two-dimensional form of this material using a combination of \emph{ab initio} calculatio...