Thiophene-Tetrathia-Annulene monolayer (TTA-2D): A new 2D semiconductor material with indirect bandgap

A new 2D monolayer BiXene, M2C (M = Mo, Tc, Os).

The existence of BiXenes, a new family of 2D monolayers, is hereby predicted. Theoretically, BiXenes have 1H symmetry (P6[combining macron]m2) and can be formed from the 4d/5d binary carbides. As the name suggests, they are close relatives of MXenes, which instead have 1T symmetry (P3[combining macron]m1). The newly found BiXenes, as well as some new MXenes, are shown to have formation energies...

Thermally driven crossover from indirect toward direct bandgap in 2D semiconductors: MoSe2 versus MoS2.

Layered semiconductors based on transition-metal chalcogenides usually cross from indirect bandgap in the bulk limit over to direct bandgap in the quantum (2D) limit. Such a crossover can be achieved by peeling off a multilayer sample to a single layer. For exploration of physical behavior and device applications, it is much desired to reversibly modulate such crossover in a multilayer sample. ...

Phosphorene: A Unexplored 2D Semiconductor with a High Hole Mobility

Phosphorene: an unexplored 2D semiconductor with a high hole mobility.

We introduce the 2D counterpart of layered black phosphorus, which we call phosphorene, as an unexplored p-type semiconducting material. Same as graphene and MoS2, single-layer phosphorene is flexible and can be mechanically exfoliated. We find phosphorene to be stable and, unlike graphene, to have an inherent, direct, and appreciable band gap. Our ab initio calculations indicate that the band ...

Hexagonal boron nitride is an indirect bandgap semiconductor

Hexagonal boron nitride is a wide bandgap semiconductor with very high thermal and chemical stability that is used in devices operating under extreme conditions. The growth of high-purity crystals has recently revealed the potential of this material for deep ultraviolet emission, with intense emission around 215 nm. In the last few years, hexagonal boron nitride has been attracting even more at...