Abstract
The Σ = 11 tilt grain boundary is known to exhibit two atomic structures A and B. Moreover, at low temperature, the A structure has been observed is silicon and the B structure in germanium. The classical empirical potentials are unable to describe this unexpected difference between two elements which are very close in many other respects. Wilder and Teichler used an empirical bond charge model to account for these phenomena. In the present paper, the semi-empirical tight-binding method is used with a relaxation method that also leads to results in agreement with observations.
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.
