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Caption
Pressure-induced phases of TiS3. (A) Monoclinic crystal lattice of TiS3 (space group of P21/m (type-I)) at low pressure. The gray box outlines the periodic unit cell. Bond 1 (magenta) is 2.67 Å long, while the bonds 2, 3, and 4 (dark blue) are 2.49 Å long on average. To show clearly the embedded 1D chains, we use maroon and yellow S atoms to differentiate the two different (but equivalent) chains within a periodic unit cell. The S–S pair (labeled in orange) connects S atoms attached to the same Ti. (B) Left: A photograph of a Q1D TiS3 microstructure (seen as a dark line) on a white paper. Right: SEM image of the TiS3 whisker at low pressure. (C) Monoclinic crystal lattice of TiS3, P21/m (type-II), at intermediate pressure. The gray box outlines the periodic unit cell. The S–S bond (labeled in purple) connects S atoms attached to different Ti. (D) Cubic crystal lattice of the high-pressure phase (space group of Pm3m) in the ball-and-stick representation. (E) Cubic crystal lattice in the polyhedral representations.
Credit
Nano Letters (2024). https://doi.org/10.1021/acs.nanolett.4c00824
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