Crystal and electronic structure of a quasi-two-dimensional semiconductor Mg3Si2Te6

We report the synthesis and characterization of a Si-based ternary semiconductor Mg3Si2Te6, which exhibits a quasi-two-dimensional structure, where the trigonal Mg2Si2Te6 layers are separated by Mg ions. Ultraviolet-visible absorption spectroscopy and density functional theory calculations were performed to investigate the electronic structure. The experimentally determined direct band gap is 1.39 eV, consistent with the value of the density function theory calculations. Our results reveal that Mg3Si2Te6 is a direct gap semiconductor, which is a potential candidate for near-infrared optoelectronic devices.

Automated summary

We synthesized and characterized a Si-based ternary semiconductor Mg3Si2Te6, which has a quasi-two-dimensional structure with trigonal Mg2Si2Te6 layers separated by Mg ions. Ultraviolet-visible absorption spectroscopy and density functional theory calculations were used to investigate its electronic structure. The experimentally determined direct band gap of 1.39 eV matches well with the calculated value. Our findings suggest that Mg3Si2Te6 is a direct gap semiconductor and a potential candidate for near-infrared optoelectronic devices.