Abstract
The electronic structure, charge distribution, and charge transfer in α-and β- Si3N4 and at the Si(111)/Si3N4(001) interface havebeen studied using a self-consistent first-principles LCAO method. Thecalculated charge transfer suggests that both in α- and β-phases,the ionic formula may be written as Si3+1.24N4−0.93. For the Si(111)/Si3N4(001) interface, the silicon atoms from the Si(111) sidegive some electrons to the N atoms of Si3N4 forming the Si-N bonds atthe interface. One Si-N bond is associated with a charge transfer of about 0.31electrons.
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.
