Abstract
Results of an Iab initioP investigation of the bonding of hydrogen to strained silicon-silicon bonds are reported. In particular, the effect of a bond-angle distortion is studied by introducing a lateral displacement of atomic planes in a supercell configuration. Compared to the normal bond-centered site, the hydrogen binding energy increases with strain by up to 1.5 eV and the hydrogen favors an asymmetrical site. The results are related to the bonding of hydrogen in amorphous silicon.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Published version (
Free)
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
