Abstract
Hydrostatic pressure response of charge density wave (CDW) system is investigated using electrical transport, x-ray diffraction (XRD), and density-functional theory (DFT). Resistivity data at ambient pressure evidence a clear CDW transition at 83 K. X-ray diffraction at ambient pressure reveals that in plane and out of plane axes show opposite behavior with decreasing temperature, in particular, out of plane axis develops a distinct change at ∼250 K, much above the observed CDW transition at 83 K. The CDW transition shifts to low temperature with increasing pressure. Our resistivity data indicate a complete suppression of the CDW transition at ∼3.6 GPa. High-pressure XRD revealed a change from the linear trend for the out of plane () and the in plane () lattice parameters for pressure above 3.8 GPa. With compression, DFT indicated an anomaly in the c/a ratio around 8 GPa. The calculated electronic structure also indicated minor changes in the band structure in this pressure range. In addition, high-pressure DFT structural investigations reveal the system to be stable up to pressures as high as 150 GPa.
3 More- Received 2 January 2021
- Revised 21 April 2021
- Accepted 27 April 2021
DOI:https://doi.org/10.1103/PhysRevB.103.195126
©2021 American Physical Society