English

Why the effective-mass approximation works so well for nano-structures

Materials Science 2018-02-21 v2

Abstract

The reason why the effective-mass approximation, derived for wave packets constructed from infinite-periodic-systems' wave functions, works so well with nanoscopic structures, has been an enigma and a challenge for theorists. To explain and clarify this issue, we re-derive the effective-mass approximation in the framework of the theory of finite periodic systems, i.e., using energy eigenvalues and fast-varying eigenfunctions, obtained with analytical methods where the finiteness of the number of primitive cells per layer, in the direction of growth, is a prerequisite and an essential condition. This derivation justifies and explains why the effective-mass approximation works so well for nano-structures. We show also with explicit optical-response calculations that the rapidly varying eigenfunctions Φϵ0,η0(z)\Phi_{\epsilon_0,\eta_0}(z) of the one-band wave functions Ψμ,νϵ0,η0(z)=Ψμ,νϵ0(z)Φϵ0,η0(z)\Psi^{\epsilon_0,\eta_0}_{\mu,\nu}(z)= \Psi^{\epsilon_0}_{\mu,\nu}(z) \Phi_{\epsilon_0,\eta_0}(z), can be safely dropped out for the calculation of inter-band transition matrix elements.

Keywords

Cite

@article{arxiv.1706.08673,
  title  = {Why the effective-mass approximation works so well for nano-structures},
  author = {Pedro Pereyra},
  journal= {arXiv preprint arXiv:1706.08673},
  year   = {2018}
}

Comments

6 pages

R2 v1 2026-06-22T20:30:33.798Z