A new analytic method of calculating the density of states based on local quadratic expansions is given. Results are presented for the tight binding s band and for the valence bands of silicon. These show that the new technique properly treats van Hove singularities, where the commonly applied method using local linear expansions fails.
Rotated graphene multilayers form a new class of graphene related systems with electronic properties that drastically depend on the rotation angles. It has been shown that bilay...
A general variational method for efficiently calculating energy bands and charge densities in solids is presented; the method can be viewed as a weighted local-energy procedure ...
We derive electronic structure models for weakly interacting bilayers such as\ngraphene-graphene and graphene-hexagonal boron nitride, based on density\nfunctional theory calcul...
Two-dimensional graphene monolayers and bilayers exhibit fascinating electrical transport behaviors. Using infrared spectroscopy, we find that they also have strong interband tr...
Self-consistent local-spin-density total-energy calculations for ${\mathrm{Cr}}_{2}$ and ${\mathrm{Mo}}_{2}$ yield ${^{1}\ensuremath{\Sigma}_{\mathrm{g}}}^{+}$ ground states wit...
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