Abstract

The chalcogenogallate RbGaSe2 was synthesized by thermal decomposition of rubidium azide in the presence of gallium selenide and selenium. RbGaSe2 crystallizes in the monoclinic space group C2/c (no. 15) with the lattice parameters a = 10.954(1) Å, b = 10.949(1) Å, c = 16.064(1) Å, β = 99.841(4)°, V = 1898.2(2) Å3, and Z = 16 (single‐crystal data, 20 °C) in the TlGaSe2 structure type. Its crystal structure features anionic layers 2∞[Ga4Se84–] with a van der Waals distance of 3.30(1) Å. Thermal analysis revealed a melting point of about 930 °C. Using UV/Vis diffuse reflectance spectroscopy, a wide bandgap of 3.16 eV was determined for the colorless semiconductor. The bonding situation in the compound was further compared with the isotypic cesium phases based on the results from Raman spectroscopy and DFT calculations. The slight shifts of the Raman bands suggest a slightly higher covalency of the rubidium compound.

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call

Disclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.