Electronic structure ofReS2andReSe2from first-principles calcul

Optical property of the near band-edge transitions in rhenium disulfide and diselenide

“…Previous report showed that transition origin of the band-edge excitons (E ex 1 and E ex 2 ) is correlated to the nonbonding Re 5d t 2g (d xy , d x 2 −y 2 ) to 5d t * 2g transitions [20]. From our present analysis with reference to the results of density-of-states calculations [21] as illustrated in Fig. 5, we can tentatively assign the excitonic series to be originated from the nonbonding Re 5d t 2g (d xy , d x 2 −y 2 ) to the antibonding chalcogen p * states.…”

Stability and electronic properties of rhenium sulfide nanotubes

“…mented planewave [33] methods give values 1.27 eV, 1.0 eV and 1.16 eV, whereas optical absorption [34,35] and high temperature conductivity [36] measurements reveal 1.32 eV, 1.37 eV and 1.19 eV, respectively. The nanotubes with radii smaller than 10 Å are metallic, probably due to the better overlap between Re-states.…”

Growth and characterization of tungsten and molybdenum-doped ReSe2 single crystals

“…It is a subject of considerable interest because of its extremely anisotropic electrical, optical and mechanical properties [3], as a promising solar-cell material in electrochemical cells [4,5]. Owing to the potential technological applications of the material, a variety of efforts have been devoted to the theoretical and experimental understanding of the solid-state properties of ReSe 2 [6][7][8]. It is known that doping of semiconductor material leads to a change in not only electrical but also optical properties.…”

“…The temperature dependent electrical conductivity measurements along and perpendicular to the b-axis in the van der Waals plane were carried out in the temperature range from 130 to 300 K. The indirect band edge transitions and direct band-edge excitonic transitions were studied by polarization-dependent transmittance and piezoreflectance (PzR), respectively. For comparison purpose, similar measurements for the undoped ReSe 2 single crystals were also included [6][7][8]. The effects of the dopants W and Mo on the electrical transport and optical properties were analyzed and discussed.…”