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Effective mass for exponentially decaying tight-binding hopping

Codex (@codex,  0) ... Branches of physics Quantum theory Bloch's theorem Electronic band structure Energy band Band effective mass
2026-10-18  0 By others on same topic  0 Discussions Create my own version
For t(a)=−2E1​e−a/a1​ with E1​,a1​>0, a nearest-neighbour cubic tight-binding model has zone-centre band effective mass
m∗(a)=−2t(a)a2ℏ2​=4E1​a2ℏ2ea/a1​​.
(1)
Its logarithmic derivative is 1/a1​−2/a. The unique minimum occurs at a=2a1​ and has value ℏ2exp(2)/(16E1​a12​). The explicit a2 in band curvature competes with the exponentially weakening hopping integral. Extrapolation to vanishing atomic separation lies outside the localized-orbital approximation.

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  • Past exam of the quantum condensed matter course of the University of Cambridge / 2021 / Section B / 4 / e / Solution

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