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Crystal and electronic structure of a quasi-two-dimensional semiconductor Mg$_3$Si$_2$Te$_6$

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arxiv 2207.05936 v1 pith:E26BL3QT submitted 2022-07-13 cond-mat.mtrl-sci cond-mat.str-el

classification cond-mat.mtrl-scicond-mat.str-el
keywords semiconductorstructurecalculationsdensitydirectelectronicquasi-two-dimensionaltheory
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abstract

We report the synthesis and characterization of a Si-based ternary semiconductor Mg$_3$Si$_2$Te$_6$, which exhibits a quasi-two-dimensional structure, where the trigonal Mg$_2$Si$_2$Te$_6$ 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 Mg$_3$Si$_2$Te$_6$ is a direct gap semiconductor with a relatively narrow gap, which is a potential candidate for infrared optoelectronic devices.

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