Lattice Transformation from 2-D to Quasi 1-D and Phonon Properties of Exfoliated ZrS2 and ZrSe2. (arXiv:2210.00631v1 [cond-mat.mtrl-sci])
We investigate the thermal properties of these Zirconium based materials using confocal Raman spectroscopy. We observed 2 different and distinctive Raman signatures for exfoliated ZrX2 (where X = S or Se). These Raman modes generally depend on the shape of the exfoliated nanosheets, regardless of the incident laser polarization. These 2 shapes are divided into 2D- ZrX2 and quasi 1D- ZrX2. For 2D- ZrX2, Raman modes are in alignment with those reported in literature. However, for quasi 1D-ZrX2, we show that Raman modes are identical to exfoliated ZrX3 nanosheets, indicating a major lattice transformation from 2D to quasi-1D. We also measure thermal properties of each resonant Raman mode for each ZrX2 shape. Based on our measurements, most Raman modes exhibit a linear downshift dependence with temperature. However, for ZrS2, we see an upshift (blueshift) with temperature for A1g mode, which is attributed to non-harmonic effects caused by dipolar coupling with IR-active modes. Moreover, the observed temperature dependence coefficient for some phonon modes of quasi 1D-ZrX2 differ dramatically, which can be caused by the quasi 1D lattice. Finally, we measure phonon dynamics under optical heating for each of 2D-ZrX2 and quasi 1D-ZrX2 and show phonon confinement in quasi 1D-ZrX2 nanosheets. We extract the thermal conductivity and the interfacial thermal conductance for each of 2D-ZrX2 and quasi 1D-ZrX2 nanosheets. Our calculations indicate lower interfacial thermal conductance for quasi 1D-ZrX2 compared to 2D-ZrX2, which can be attributed to the phonon confinement in 1D. Based on our model, we show low thermal conductivity for
Published in: "arXiv Material Science".