Coupled Phonons, Magnetic Excitations and Ferroelectricity in AlFeO3:   Raman and First-principles Studies
  We determine the nature of coupled phonons and magnetic excitations in AlFeO3 using inelastic light scattering from 5 K to 315 K covering a spectral range from 100-2200 cm-1 and complementary first-principles density functional theory-based calculations. A strong spin-phonon coupling and magnetic ordering induced phonon renormalization are evident in (a) anomalous temperature dependence of many modes with frequencies below 850 cm-1, particularly near the magnetic transition temperature Tc ~ 250 K, (b) distinct changes in band positions of high frequency Raman bands between 1100-1800 cm-1, in particular a broad mode near 1250 cm-1 appears only below Tc attributed to the two-magnon Raman scattering. We also observe weak anomalies in the mode frequencies at ~ 100 K, due to a magnetically driven ferroelectric phase transition. Understanding of these experimental observations has been possible on the basis of first-principles calculations of phonons spectrum and their coupling with spins. 
Pradeep Kumar, A.Bera, D. V. S. Muthu, S. N. Shirodkar, R. Saha, A.   Shireen, A. Sundaresan, U. V. Waghmare, A. K. Sood and...
cond-mat.str-el cond-mat.mtrl-sci