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

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  • 1. Department of Physics, Fudan University, Shanghai 200437, China;
    2. Institute for Nanoelectronic Devices and Quantum Computing, Fudan University, Shanghai 200433, China

Received date: 2024-08-07

  Revised date: 2024-08-27

  Online 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.

Cite this article

JIANG Haolin1, YUAN Zhe2 . The tight-binding approximation calculation of the s-band in hcp lattice[J]. College Physics, 2025 , 44(4) : 86 . DOI: 10.16854 /j.cnki.1000-0712.240360

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