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Raman spectroscopy and pressure-induced structural phase transition in UTe2
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DOI：10.15302/frontphys.2025.014204.png)
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Abstract
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Results of the Raman scattering experiments, heat capacity measurements, ab initio simulations of the Raman spectra and pressure-induced phase transition in UTe2 single crystal are reported. Assignment of symmetries to particular Raman-active phonons follows directly from a comparative analysis of the measured and calculated Raman spectra. Theoretically determined lattice contribution to the specific heat of UTe2 allows for better description of its heat capacity measured over the temperatures ranging from 30 to 400 K. The orthorhombic-to-tetragonal phase transition pressure of 3.8 GPa is predicted at room temperature in very good agreement with the recent experimental studies. The phase transition remains almost phonon-independent with the transition pressure weakly temperature-dependent below 500 K. The strong local Coulomb correlations between U-5f electrons and spin-orbit interaction are shown to be important for realistic theoretical description of phonons and pressure- induced phase transition in UTe2.
Keywords:
Keywords Raman spectroscopy
heat capacity
phase transition
ab initio
simulations
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