Abstract
In this work the complete valence-band structure of the molybdenum dichalcogenides and is presented and discussed in comparison. The valence bands have been studied using both angle-resolved photoelectron spectroscopy (ARPES) with synchrotron radiation, as well as ab initio band-structure calculations. The ARPES measurements have been carried out in the constant-final-state (CFS) mode. The results of the calculations show in general very good agreement with the experimentally determined valence-band structures allowing for a clear identification of the observed features. The dispersion of the valence bands as a function of the perpendicular component of the wave vector reveals a decreasing three-dimensional character from to which is attributed to an increasing interlayer distance in the three compounds. The effect of this dispersion on the determination of the exact dispersion of the individual states as a function of is discussed. By performing ARPES in the CFS mode the component for off-normal emission spectra can be determined. The corresponding value is obtained from the symmetry of the spectra along the and lines, respectively.
- Received 18 May 2001
DOI:https://doi.org/10.1103/PhysRevB.64.235305
©2001 American Physical Society