Physical properties of layered crystals with cation substitution.

      Аннотация: The work is devoted to the systematic experimental and first principles investigation of structural, electronic, optical and mechanical properties of InTlІ solid state alloy solution. A series of InTlI single crystalline solid state alloys were successfully synthesized by the vertical Bridgman method. For the first time the density functional theory based band structure calculations are performed and features of the band energy dispersion are discussed. The dependence of relative linear expansion of InTlI crystals has been obtained. Based on this, the temperature dependence of thermal-expansion coefficient ? has been found. Dependence of birefringence on temperature and concentration of the TlI component in the solid solution has been studied. The corresponding Young modulus, shear modulus, and compression modulus are calculated theoretically. The velocity of sound propagation in examined specimens is studied experimentally. Features of the photoconductivity spectra for different crystallographic directions have been discussed with taking into account the chemical bonds anisotropy. Excitation and emission spectra of the photoluminescence of InTlI solid solution are analyzed.

Ключевые слова: solid state alloy solution; density functional theory; photoconductivity spectra; photoluminescence; birefringence;