Structure and Dynamic and Nonlinear Optical Properties of Hg2F2 Crystalsстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 1 августа 2019 г.
Аннотация:The structure of the Hg2F2 compound was studied experimentally and theoretically within the density functional theory. X-ray diffraction studies enabled us to determine the space group of the crystal (I4/mmm), and the comparison of the experimentally obtained Raman spectra of these crystals with the theoretical ones enabled us to find and uniquely identify all bands in the spectra. The stability of the I4/mmm phase was analyzed in a wide range of uniaxial and hydrostatic pressures. It is shown that the uniaxial compression of a crystal along a tetragonal axis results in a phase transition to the Cmcm structure at Pc = 8 GPa, whereas the hydrostatic compression results in a previously unknown phase transition to the Cmca phase at Pc = 9 GPa. The calculations of the cubic nonlinear susceptibility of Hg2F2 predict a giant value of this quantity.