Tight-binding parametrization of first-principles electronic dispersion in orientationally disordered [ital A][sub 3]C[sub 60]

We derive numerical tight-binding hopping parameters to describe conduction-band dispersion in arbitrary orientational phases of [ital A][sub 3]C[sub 60]. The parameters are obtained by direct Fourier inversion of the spectra from self-consistent electronic-structure calculations for K[sub 3]C[sub 6...

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Bibliographic Details
Published in:Physical review. B, Condensed matter Vol. 50:8
Main Authors: Erwin, S.C., Mele, E.L.
Format: Journal Article
Language:English
Published: United States 15-08-1994
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Online Access:Get full text
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