The experimental and theoretical investigation of vibration spectra in ferroelectric semiconductor SbSBrxI1−x crystals

The vapor grown SbSBrxI1−x (x=0.1; 0.5; 0.9) crystals with clear mirror surfaces have been used for infrared reflection measurements with Fourier spectrometer. The vibration frequencies along c(z)-axis have been derived from Kramers–Kroning and optical parameters fitting analysis of the experimental reflectivity spectra at T=300 K. The theoretical vibration spectra of SbSBrxS1−x (x=0.1; 0.5; 0.9) crystals in paraelectric phase (T=300 K) along c(z)-axis have been determined in quasiharmonic approximation by diagonalization of dynamical matrix. The theoretical vibration spectra of these crystals in a–b(x−y) plane have been determined in harmonic approximation. In this work we discuss the nature of anharmonism in SbSBrxI1−x crystals along the c(z)-axis.