Diffusion quantum Monte Carlo and GW study of the electronic properties of monolayer and bulk hexagonal boron nitride

22 Apr 2020 Hunt R. J. Monserrat B. Zolyomi V. Drummond N. D.

We report diffusion quantum Monte Carlo (DMC) and many-body $GW$ calculations of the electronic band gaps of monolayer and bulk hexagonal boron nitride (hBN). We find the monolayer band gap to be indirect... (read more)

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  • MATERIALS SCIENCE