W. Monch, ELEMENTARY CALCULATION OF THE BRANCH-POINT ENERGY IN THE CONTINUUM OFINTERFACE-INDUCED GAP STATES, Applied surface science, 117, 1997, pp. 380-387
Citations number
43
Categorie Soggetti
Physics, Condensed Matter","Chemistry Physical","Materials Science, Coatings & Films
The band alignment at ideal semiconductor interfaces may be described
by the continuum of interface-induced gap states. These intrinsic inte
rface states derive from the victual gnp states (ViGS) of the complex
semiconductor band structure. The energy at which their character chan
ges from predominantly donorlike to acceptor-like is defined as their
branch point. This branch point is located slightly below the middle o
f its band gap al the mean-value point in the Brillouin zone. By compa
rison with GW band-structure data it is demonstrated that, first, the
width of the band gap at the mean-value point equals the dielectric ba
nd gap and that, second, the empirical tight-binding approximation rep
roduces the dispersion of the GW valence bands from the middle to the
mean-value point of the Brillouin zone. Branch points computed by Ters
off for 15 semiconductors are found slightly below the middle of the r
espective dielectric band gaps at the mean-value point of the Brilloui
n zone, These results make possible simple calculations of branch poin
ts for other zincblende-structure semiconductors.