Theory of hydrogen-related metastability in disordered silicon.
Density functional electronic structure calculations are employed to examine hydrogen for a variety of configurations in silicon. A novel complex is found for hydrogen in amorphous silicon. The complex involves the breaking of a weak silicon bond to form two Si-H bonds with both hydrogens in between the original silicon atoms. This complex provides a microscopic model for new metastable complexes observed in amorphous silicon. Mechanisms for hydrogen-related metastability are discussed for amorphous and polycrystalline silicon.
Tuttle
B R
BR
Department of Physics, Penn State Erie, The Behrend College, Erie, Pennsylvania 16563, USA. brt10@psu.edu