Abstract
We carried a theoretical investigation on the electronic and structural properties of isolated substitutional and interstitial nickel impurities in diamond. The calculations were performed within the spin-polarized FP-LAPW (full-potential linearized augmented plane wave) total energy methodology, using the WIEN97 package. The atomic structures, symmetries, acceptor and donor transition energies, and formation energies of isolated Ni in diamond were computed. The results were compared to available experimental data on the electrically active centers in synthetic diamond.
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.
