Two-dimensional materials exhibit diverse electronic properties, ranging from insulating hexagonal boron nitride and semiconducting transition metal dichalcogenides such as molybdenum ...

Quasiparticle band structures and optical properties of MoS2, MoSe2, MoTe2, WS2, and WSe2 monolayers are studied using the GW approximation ...

We investigate band-gap tuning of bilayer graphene between hexagonal boron nitride sheets, by external electric fields. Using density functional theory, ...

We present two interatomic potentials for hydrogen in α–iron based on the embedded atom method potentials for iron developed by ...

Magnetism in graphene is of fundamental as well as technological interest, with potential applications in molecular magnets and spintronic devices. ...

We show that edge stresses introduce intrinsic ripples in freestanding graphene sheets even in the absence of any thermal effects. ...

This article presents the results of three-dimensional modeling of heteroepitaxial thin film growth with the objective of understanding recent experiments ...