1203.6820 (Swastibrata Bhattacharyya et al.)

Semiconductor-metal transition in semiconducting bilayer sheets of
transition metal dichalcogenides    [PDF]

Swastibrata Bhattacharyya, Abhishek K. Singh

Using first-principles calculations we show that the band gap of bilayer sheets of semiconducting transition metal dichalcogenides (TMDs) can be reduced smoothly by applying vertical compressive pressure. These materials undergo an universal reversible semiconductor to metal (S-M) transition at a critical pressure. S-M transition is attributed to lifting the degeneracy of the bands at fermi level caused by inter-layer interactions via charge transfer from metal to chalcogens. The ability to tune the band gap of TMDs in a controlled fashion over a wide range of energy, opens-up possibility for its usage in a range of applications.

View original: http://arxiv.org/abs/1203.6820