Abstract
Relative stability and geometrical deformations of charged states of interstitial hydrogen in silicon are studied by semiempirical (MNDO-PM3) and ab intio (HF and MP2) methods within a cluster approach. Stable geometries are found only for positively charged H-Si systems. The incorporation of correlation effects markedly favours the H-Si association. Long range SiSi interactions are observed even at high bond distances and the energy behaviour of the excited state with the SiSi distance is studied.
Sign-in/Register to access full text options 
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 callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
