Publication Date:
2012-07-24
Description:
Author(s): Wei Chen and Alfredo Pasquarello We compare band-edge levels as obtained with hybrid functionals and G W perturbation theory for a wide class of materials. For s p -bonded semiconductors, a close agreement is demonstrated. However, deviations for other materials are more significant and range up to 1 eV for the most ionic insulators. ... [Phys. Rev. B 86, 035134] Published Mon Jul 23, 2012
Keywords:
Electronic structure and strongly correlated systems
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics