Abstract
The single-particle electronic states of group-IB impurities, Cu, Ag and Au, in silicon are calculated by use of the self-consistent field scattered-wave Xα method. The clusters XSi4Si＇12 and XSi10Si＇16, which have been used in some pioneer works and in our earlier successfully treatments of the 4d transition-metal impurities in silicon, are taken to simulate the silicon crystals locally perturbed by substitutional and tetrahedral interstitial group-IB impurities X, respectively. We find that the substitutional impurities introduce a t2 type level in the band gap. This state is by no means (d-lik, but rather mostly dangling bond-like on the silicon neighbors. The interstitial impurities introduce an a1 type level in the gap. In the case of Si:Au, this state is close to the bottom of conduction band and is rather delocalized. In addition, a hyperdeep s-like level just below the bottom of the valence band is obtained. The trends in the electronic properties of group-IB impurities in silicon have been discussed also.
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.
