Synthesis, structure, physical properties, and electronic structure of KGaSe2
Abstract
The ternary gallium selenide KGaSe2 has been synthesized by solid-state reactions and good quality crystal has been obtained. KGaSe2 crystallizes in the monoclinic space group C2/c with cell dimensions of a = 10.878(2) Å, b = 10.872(2) Å, c = 15.380(3) Å, and β = 100.18(3)°. In the structure, adamantane like [Ga4Se10]8- units are connected by common corners forming two-dimensional [GaSe2]- layers which are separated by K+ cations. KGaSe2 exhibits congruent-melting behavior at around 965 °C. It is transparent in the range of 0.47-20.0 μm and has a band gap of 2.60(2) eV. From a band structure calculation, KGaSe2 is a direct-gap semiconductor. The band gap is mainly determined by the [GaSe2]- layer.
- Publication:
-
Solid State Sciences
- Pub Date:
- August 2012
- DOI:
- 10.1016/j.solidstatesciences.2012.05.028
- Bibcode:
- 2012SSSci..14.1152F