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- W2022962028 abstract "We have studied the energy band structure of polydiacetylenes (PDAs) using the extensional Hückel Hamiltonian that includes the nonnearest-neighbor hopping interactions. The results show that with increase in the nonnearest-neighbor hopping interaction parameters ρ 1 and ρ 2 , (i) the energy band symmetry is broken and the energy gap 2Δ has changed, (ii) the locations and the widths of energy bands have changed and their shifts depend mainly on ρ 1 (next-neighbor hopping interactions), and (iii) the energy gap 2Δ depends mainly on ρ 2 (third-neighbor hopping interactions), the effects of the nonnearest-neighbor hopping interaction on the band structure are discussed. PACS No.: 31.15Ct" @default.
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- W2022962028 date "2001-04-01" @default.
- W2022962028 modified "2023-09-23" @default.
- W2022962028 title "The electronic band structure of polydiacetylenes with second- and third-neighbor hopping interaction" @default.
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- W2022962028 doi "https://doi.org/10.1139/p01-035" @default.
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