Novel high-pressure structure and superconductivity of titanium trisulfide

Add time:08/01/2019    Source:sciencedirect.com

The study of titanium trisulfide (TiS3) has been an intensely researched subject due to the wide range of industrial applications (e.g., photo-voltaic and thermoelectric devices). The effects of pressure in reducing inter-atomic distances and modifying crystal structures are well known, thus pressure may provide a route to improve the physical or chemical properties of materials. We herein report the prediction of potential superconductivity in titanium trisulfide by first principles calculations in combination with a swarm structure search methodology. We found that pressure can efficiently alter the crystal structures in TiS3 from the monoclinic phase into a cubic phase at 71 GPa accompanied by the destruction of layered packing pattern with S-S units and forming infinitely S-S linear chains in three dimensions. Strikingly, our study unravels the superconductive potential of this cubic phase with an estimated transition temperature of ∼9.3 K at 80 GPa. Our current results offer insights into understanding the high-pressure electronic behaviors of solid TiS3.

We also recommend Trading Suppliers and Manufacturers of phosphorus trisulfide (cas 12165-69-4). Pls Click Website Link as below: cas 12165-69-4 suppliers

Prev:Graphene-supported bimetal phosphorus trisulfide (cas 12165-69-4)s as novel 0D–2D nanohybrid for high rate Li-ion storage
Next:Absence of adverse effects following the gavage administration of methyl propyl trisulfide to Sprague-Dawley rats for 90 days)