Abstract
In recent years electronic structures of and related materials have been studied theoretically through ab initio band-structure calculations and experimentally through photoemission experiments, but to the best of our knowledge, a detailed comparison between experiment and theory has not been attempted so far. In this paper we discuss the density of states (DOS) of the narrow-gap semiconductors obtained within density-functional theory. While several electronic structure calculations for and have been reported in the literature, there have been no published calculations for or Recent photoemission and inverse-photoemission measurements in these systems, performed by four separate groups (including our photoemission measurements of and allows for a comparison of the general features of the calculated DOS for both valence- and conduction-band states with photoemission and inverse-photoemission spectra. The agreement between the positions of the prominent peaks in the calculated DOS and photoemission spectra continues to improve with better energy resolution in the experiment.
- Received 22 February 2001
DOI:https://doi.org/10.1103/PhysRevB.65.085108
©2002 American Physical Society