ELECTRONIC-STRUCTURE OF MOLTON SI, GE, AND GAAS

The paper presents ab-initio calculations of the atomic and electronic structure of the molten group-IV semiconductors Si and Ge and of the III-V semiconductor GaAs. It is shown that while the electronic structure of liquid Si is quite NFE-like, the DOS for Ge and GaAs has a pronounced structure arising from relativistic bonding effects, the low coordination numbers and (in the case of GaAs) from the increasing number of like-atom bonds.