CHEMICAL ORDER IN AMORPHOUS COVALENT ALLOYS - A THEORETICAL-STUDY OF A-SIC

The microscopic structure and electronic properties of amorphous silic on carbide at stoichiometric composition have been investigated with a b-initio molecular dynamics simulations. Our results show that a-SiC c an be classified neither as chemically ordered nor as completely rando m and has a structure much more complex than commonly believed. Our da ta also indicate that a detailed analysis of each atomic species is cr ucial to the understanding of the material properties.