1996/01/15 by J. Bennetto, David Vanderbilt · 3 citations
Chemistry · Physics and Astronomy · #Chemistry #Electronic structure #Perturbation theory (quantum mechanics) #Physics #Physics of Superconductivity and Magnetism #Quantum and electron transport phenomena #Quantum mechanics #Semiconductor #Statistical physics #Surface and Thin Film Phenomena #Tight binding #Wave function #cond-mat.mtrl-sci #mtrl-th
paper · pdf · doi:10.1103/physrevb.53.15417
4 pages, two-column style with 2 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#jb_tb
arxiv created 1996/01/15 · openalex publication_date 1996/06/15 · arxiv updated 2009/11/30 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We calculate the transverse effective charges of zinc-blende compound semiconductors using Harrison's tight-binding model to describe the electronic structure. Our results, which are essentially exact within the model, are found to be in much better agreement with experiment than previous perturbation-theory estimates. Efforts to improve the results by using more sophisticated variants of the tight-binding model were actually less successful. The results underline the importance of including quantities that are sensitive to the electronic wave functions, such as the effective charges, in the fitting of tight-binding models. \textcopyright 1996 The American Physical Society.