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Experimental and theoretical study of structural properties and phase transitions in YAsO4and YCrO4
2011
Physical Review B
We have performed experimental and theoretical studies of the structural stability of YAsO4 and YCrO4 at high pressures. X-ray diffraction experiments together with ab initio total-energy and lattice-dynamics calculations have allowed us to completely characterize a pressure-induced structural phase transition from the zircon to the scheelite structure in both compounds. Furthermore, total-energy calculations have been performed to check the relative stabilities of different candidate
doi:10.1103/physrevb.83.134109
fatcat:c7oaz7oeundt7lvbu6nvk3tefu