College Physics ›› 2025, Vol. 44 ›› Issue (4): 86-.doi: 10.16854 /j.cnki.1000-0712.240360

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The tight-binding approximation calculation of the s-band in hcp lattice

JIANG Haolin1, YUAN Zhe2   

  1. 1. Department of Physics, Fudan University, Shanghai 200437, China;
    2. Institute for Nanoelectronic Devices and Quantum Computing, Fudan University, Shanghai 200433, China
  • Received:2024-08-07 Revised:2024-08-27 Online:2025-06-25 Published:2025-07-01

Abstract: The tightbinding approximation is an important method for calculating electron energy bands in solids. Recently, an article incorrectly applied the tightbinding approximation to calculate the energy bands of hexagonal closepacked (hcp) lattice, resulting in complex energy eigenvalues. This paper identifies the doctrinal errors in their calculations, presents the correct calculation methods and results, and provides a detailed discussion on the symmetry of the energy bands, the extremal points, the characteristics of Bloch functions along highsymmetry paths, and the effects of nextnearest neighbor overlap integrals.

Key words: solid energy bands, tightbinding approximation, hexagonal closepacked lattice