A New Family of Two-Dimensional Crystals: Open-Framework T<sub>3</sub> X ( T = C, Si, Ge, Sn; X = O, S, Se, Te) Compounds with Tetrahedral Bonding.
basic_science · Level V
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- Record sourced from PubMed, PMID 30875471.
- Also identified by DOI 10.1021/acs.nanolett.9b00668.
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Abstract
To accelerate development of innovative materials, their modelings and predictions with useful functionalities are of vital importance. Here, based on a recently developed crystal structure prediction method, we find a new family of stable two-dimensional crystals with an open-channel tetrahedral bonding network, rendering a potential prototype for electronic and energy applications. The proposed structural prototype with a space group of Cmme hosts at least 13 different freestanding T<sub>3</sub> X compounds with group IV ( T = C, Si, Ge, Sn) and VI ( X = O, S, Se, Te) elements. Moreover, the proposed materials display diverse electronic properties ranging from direct band gap semiconductor to topological insulator at their pristine forms, which are further tunable by mechanical strain.