Crystal Growth and Thermal Properties of Quasi-One-Dimensional van der Waals Material ZrSe3

ZrSe3 with a quasi-one-dimensional (quasi-1D) crystal structure belongs to the transition metal trichalcogenides (TMTCs) family. Owing to its unique optical, electrical, and optoelectrical properties, ZrSe3 is promising for applications in field effect transistors, photodetectors, and thermoelectrics. Compared with extensive studies of the above-mentioned physical properties, the thermal properties of ZrSe3 have not been experimentally investigated. Here, we report the crystal growth and thermal and optical properties of ZrSe3. Millimeter-sized single crystalline ZrSe3 flakes were prepared using a chemical vapor transport method. These flakes could be exfoliated into microribbons by liquid-phase exfoliation. The transmission electron microscope studies suggested that the obtained microribbons were single crystals along the chain axis. ZrSe3 exhibited a specific heat of 0.311 J g(-1) K-1 at 300 K, close to the calculated value of the Dulong-Petit limit. The fitting of low-temperature specific heat led to a Debye temperature of 110 K and an average sound velocity of 2122 m s(-1). The thermal conductivity of a polycrystalline ZrSe3 sample exhibited a maximum value of 10.4 +/- 1.9 W m(-1) K-1 at 40 K. The thermal conductivity decreased above 40 K and reached a room-temperature value of 5.4 +/- 1.3 W m(-1) K-1. The Debye model fitting of the solid thermal conductivity agreed well with the experimental data below 200 K but showed a deviation at high temperatures, indicating that optical phonons could substantially contribute to thermal transport at high temperatures. The calculated phonon mean free path decreased with temperatures between 2 and 21 K. The mean free path at 2 K approached 3 mu m, which was similar to the grain size of the polycrystalline sample. This work provides useful insights into the preparation and thermal properties of quasi-1D ZrSe3.

Automated summary

In this study, we reported the crystal growth and thermal and optical properties of ZrSe3. The results showed that ZrSe3 has excellent thermal conductivity and specific heat, and optical phonons play an important role in thermal transport at high temperatures.