Structure and properties of a quasi-one-dimensional compound BaTiS₃ under pressure

ABSTRACT

We report the studies of structure and properties of a quasi-one-dimensional (quasi-1D) compound ${\mathrm{BaTiS}}_3$ under pressure. The poly-crystalline samples are synthesized by solid-state reaction method and single-crystalline samples are produced by chemical vapor transport method. The XRD measurement under ambient pressure confirms the hexagonal structure, which consists of face-sharing octahedral ${\mathrm{TiS}}_6$ chains along c-axis and displays a quasi-1D feature. When applying pressure, the synchrotron X-ray diffraction experiments show that the sample undergoes a phase transition from hexagonal phase to orthorhombic phase at around 10 GPa due to the zig–zag deformation of ${\mathrm{TiS}}_6$ chains, while the quasi-1D structure is reserved. At ambient pressure, ${\mathrm{BaTiS}}_3$ exhibits an insulating behavior with a band gap about 0.273 eV. When applying pressure, the sample undergoes a crossover from insulator to metal due to the enhancement of inter-chain electron hopping.

KEYWORDS:

• Quasi-one-dimensional conductor
• electron hopping
• high pressure
• dimensional crossover

Acknowledgments

J. Z. also acknowledged the Major Science and Technology Infrastructure Project of MaterialGenome Big-science Facilities Platform supported by Municipal Development and Reform Commission of Shenzhen. Some experiments are supported by the Synergic Extreme Condition User Facility.

Data availability statement

The data that support the findings of this study are available from the corresponding author upon reasonable request.

Disclosure statement

No potential conflict of interest was reported by the authors.

Additional information

Funding

This work was supported by the National Key R&D Program of China and the Natural Science Foundation of China [grant numbers 12004161, 2023YFA1406001 and 12274193], the Stable Support Plan Program of Shenzhen Natural Science Fund [grant number 20200925152415003], the Project funded by the Basic and Applied Basic Research Foundation of Guangdong Province [grant number 2022A1515010044].