Abstract. Measurements of spin-lattice relaxation time T 1 for resorcinol have been made by the proton NMR technique using the saturation method in the temperature range 280 -380 K and pressure up to 800 MPa. The pressure-induced -β transition evolved through two phase coexistence range was observed. The crystal structure and vibrational spectra of the resorcinol have also been studied by means of X-ray diffraction and Raman spectroscopy at pressures up to 19 GPa in temperature range 290 -380 К. In experiments with a rapid pressurization rate, suppression of α-β polymorphic transition in resorcinol occurs. In experiments with a slow pressurization rate, two structural phase transitions, between orthorhombic α and β phases at P = 0.4 GPa and from β to another orthorhombic phase at P=5.6 GPa, were observed. At pressures above 12.5 GPa, a gradual transformation to the amorphous phase was revealed. The lattice parameters, unit cell volumes and vibration modes as functions of pressure and temperature were obtained for the different polymorphic modifications of resorcinol.
The structural and magnetic properties of multiferroic CuO have been studied by means of neutron and x-ray powder diffraction at pressures up to 11 and 38 GPa, respectively, and by first-principles theoretical calculations. Anomalous lattice compression is observed, with enlargement of the lattice parameter a, reaching a maximum at P = 13 GPa, followed by its reduction at higher pressures. The lattice distortion of the monoclinic structure at high pressures is accompanied by a progressive change of the oxygen coordination around Cu atoms from the square fourfold towards the octahedral sixfold coordination. The pressure-induced evolution of the structural properties and electronic structure of CuO was successfully elucidated in the framework of full-electronic density functional theory calculations with range-separated HSE06, and meta-generalized gradient approximation hybrid M06 functionals. The antiferromagnetic (AFM) ground state with a propagation vector q = (0.5,0, − 0.5) remains stable in the studied pressure range. From the obtained structural parameters, the pressure dependencies of the principal superexchange magnetic interactions were analyzed, and the pressure behavior of the Néel temperature as well as the magnetic transition temperature from the intermediate incommensurate AFM multiferroic state to the commensurate AFM ground state were evaluated. The estimated upper limit of the Néel temperature at P = 38 GPa is about 260 K, not supporting the previously predicted existence of the multiferroic phase at room temperature and high pressure.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.