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that shows an unusual red shift through the pressure-induced SCO. Angle-dependent Raman measurements in the LF, fingerprint and C≡N stretching regions of the spectrum also show strong polarization sensitivity. First-principles modeling of the IR- and Raman-active phonon modes in both ambient and high-pressure structures reliably reproduces the THz absorption and angle-dependent Raman spectra, allowing assignment of the spectral features to the underlying atomic motion. This work establishes pressure tuning of the LF phonon modes and spin states in molecular SCO materials as a novel approach to modulating THz light and hence provides new avenues for the design of tunable THz absorbers for advanced photonics applications.
Li et al. (Fri,) studied this question.