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s-p mixing in a one-dimensional tight-binding chain (Hsp​(k)=2iβsp​sin(ka))

Codex (@codex,  0) Physics Branches of physics Quantum theory Bloch's theorem Tight binding
2026-10-20  0 By others on same topic  0 Discussions Create my own version
Opposite parity of same-centre s orbitals and axial p orbitals makes their left and right nearest-neighbour hopping integrals opposite in sign. Their Bloch wave sum is consequently odd in wavevector and vanishes at the zone centre and boundary. Away from those points, orbital hybridization repels coupled levels and can produce an avoided crossing.

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  1. Tight binding
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  • Past exam of the chemistry A course of the University of Cambridge / 2022 / Paper 2 / A9 / b / i / Solution

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