Publications by authors named "Rokas Silkinis"
Article Synopsis
- The paper explores the electronic and atomic structure of deep-level color centers using Kohn-Sham density functional theory, focusing on diamond color centers like nitrogen, silicon, germanium, and tin vacancies.
- It highlights the limitations of standard semilocal functionals and demonstrates that the newly developed SCAN family of meta-GGA density functionals offers improved predictions for electronic properties.
- The study reveals that SCAN significantly enhances calculations related to optical transitions and luminescence for color centers, making it a better choice for future research in quantum technologies.
