Manifestation of the Jahn-Teller effect subject to quadraticT⊗e+t2problem in ultrasonic attenuation. Case study of CaF2:Cr crystal with isovalent and aliovalent substitution.

A new approach is introduced to obtain information about the adiabatic potential energy surface of the Jahn-Teller (JT) complexes subject to theT⊗e+t2problem in doped crystals. It employs simulation of the contribution of the JT sub-system to ultrasonic attenuation with account of three mechanisms of relaxation and subsequent comparison with the experimental data on temperature dependence of the attenuation obtained with the use of doped crystal and nominally pure one. The approach has been applied to the CaF2crystal doped with chromium. The experiment has been carried out at the frequencies of (13-158) × 106Hz at low temperatures (4-170 K). Peak for all the ultrasonic normal modes propagating along the [110] axis has been observed at about 8 K. It has been considered as the JT effect manifestation by the sub-system of Cr2+F8-complexes. Symmetry properties of the global minima and saddle points have been identified, the JT stabilization energies and coordinates of the extrema points in the five-dimensional space of symmetrized displacements have been evaluated. Besides, a broad shoulder has been found at 15-40 K and attributed to contribution of the Cr3+F8-sub-system.

Correlation of elastic and optoelectronic properties near structural phase transition in organic-inorganic lead iodide perovskite single crystals.

The experimental evidence of the influence of the structural phase transition on the elastic and optoelectronic properties of CH3NH3PbI3single crystals has been reported. A peak in the attenuation for longitudinal and shear ultrasonic waves and a step-like anomaly in their velocity have been found near the structural the orthorhombic-to-tetragonal phase transition (160 K). The narrow hysteresis observed in the temperature dependences of the elastic properties confirms that this is the first-order phase transition. A redshift of the absorption threshold (of about 110 meV) has been revealed both in the photocurrent (PC) and in the photoluminescence (PL) spectra with increasing temperature from 140 to 160 K. In the orthorhombic phase of CH3NH3PbI3single crystals, the fine exciton structure in the PC spectrum has been found with an exciton binding energy of 19-25 meV. The peculiarities of the PC and PL spectra near the phase transition temperature (160 K) have been observed within a wider temperature range in contrast to the elastic anomalies that can be explained by the complex structure of the near-surface region. It may be essential for the further development of optoelectronic devices based on hybrid halide perovskites.