Charge density wave transition and unusual resistance hysteresis in vanadium disulfide (1T-VS2) microflakes

Abstract

We report existence of charge density wave (CDW) transition with unusual resistivity hysteresis in stable micro-flakes of 2D transition metal dichalcogenide (TMDC) vanadium disulfide (1T-VS2) as ascertained by structural studies, Raman spectroscopy, heat capacity, resistivity measurements and supported by phonon calculations based on density functional theory. The CDW transition occurs at around 296 K on cooling and manifests itself by the onset of resistivity with a negative temperature coefficient, which we identify as the transition temperature (TCDW). The transition is identified by a distinct peak in the heat capacity at T ≈ T CDW along with anomalies in temperature variation of the lattice parameters and complimentary signatures in electron diffraction and temperature-dependent Raman spectroscopy. The temperature-dependent resistivity measurements done with different ramp rates of cooling and heating show strong hysteresis and a low temperature relaxation pointing to the existence of metastable states below the transition. The Raman spectroscopy data show a hysteresis loop below the onset of the CDW transition. The phonon band structure calculations carried out on the 1T-VS2 system show the existence of the phonon mode softening along the diagonal of the Brillouin zone, which is pronounced near the transition temperature implying the prominent role of the mode softening as a driver of the transition. The results imply that the formation of CDW is sensitive to phonon mode softening rather than energy gap opening at the Fermi level.