Semiconductor effective charges from tight-binding theory

Дата и время публикации : 1996-01-15T21:31:35Z

Авторы публикации и институты :
J. Bennetto (Department of Physics and Astronomy, Rutgers University)
David Vanderbilt (Department of Physics and Astronomy, Rutgers University)

Ссылка на журнал-издание: Ссылка на журнал-издание не найдена
Коментарии к cтатье: 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
Первичная категория: mtrl-th

Все категории : mtrl-th, cond-mat.mtrl-sci

Краткий обзор статьи: We calculate the transverse effective charges of zincblende 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 wavefunctions, such as the effective charges, in the fitting of tight-binding models.

Category: Physics