F. Yndurain et P. Ordejon, ELECTRONIC-STRUCTURE OF AMORPHOUS SEMICONDUCTING ALLOYS, Philosophical magazine. B. Physics of condensed matter. Structural, electronic, optical and magnetic properties, 70(3), 1994, pp. 535-546
We present results of ab initio calculations of the geometrical and el
ectronic structure of various amorphous silicon-based semiconducting a
lloys. The electronic structures of the compounds a-SiO(x), a-SiN(x),
a-SiN(x)H(y) and a-SiO(x)N(y) are calculated and discussed in detail.
The photoemission response as well as the optical absorption spectra a
re calculated and compared with the available experimental data.