DFT relaxation of the sqrt(13)xsqrt(13) supercell in 1T-TaS2 produces Star-of-David distortion that induces band folding and Fermi surface reconstruction, with nesting-like features arising as a direct consequence.
M.; He, Y.; van Wezel, J.; Rahn, D
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Lattice-Driven Electronic Structure Reconstruction in the Commensurate CDW Phase of 1T-Ta$S_2$
DFT relaxation of the sqrt(13)xsqrt(13) supercell in 1T-TaS2 produces Star-of-David distortion that induces band folding and Fermi surface reconstruction, with nesting-like features arising as a direct consequence.