Abstract
All-electron GW calculations of Si, diamond, and SiC were carried out to obtain the quasiparticle energy spectra, for the first time, including both valence and core levels, corresponding to the ultraviolet and X-ray photoemission spectra (UPS and XPS). We used an all-electron mixed basis approach, in which wave functions are expanded with both plane waves and numerical atomic orbitals. In particular for the core states, our results obtained using the perturbative (non-self-consistent) GW approach are in good agreement with available experimental data. The quasiparticle energies of core levels so obtained are also in good agreement with experiments when we do not take into account the renormalization factor z. Moreover, we refer to the bandwidth of diamond and compare with experiments.
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.
