Band structure of ZrSxSe2-x by ARPES

The valence band structure of mixed samples of ZrSx Se2-x single crystals, where x varies from 0 to 2, has been studied by means of high-resolution angle-resolved photoelectron spectroscopy (ARPES) using synchrotron radiation. The crystals were found to be extrinsic n-type semiconductors with indirect bandgap. The composition dependence of the band structure is presented and discussed. A characteristic splitting of the chalcogen p-derived valence bands at the symmetric point A is observed. The size of the splitting shows to increases almost linearly as progressing from ZrS2 to ZrSe2 reaching 320 meV. Further, the energy gap values are estimated from the valence band maximum to the observed emission close to the conduction band minimum. The gaps are found to vary from 1.78 eV to 1.16 eV for ZrS2 to ZrSe2, respectively, and are compared to our previously reported optical values.