Nearly all displacive transitions have been considered to be continuous or second order, and the rigid unit mode （RUM） provides a natural candidate for the soft mode. However, in-situ X-ray diffraction and Raman mea...Nearly all displacive transitions have been considered to be continuous or second order, and the rigid unit mode （RUM） provides a natural candidate for the soft mode. However, in-situ X-ray diffraction and Raman measurements show clearly the first-order evidences for the scheelite-to-fergusonite displacive transition in SaWO4： a 1.6% volume collapse, coexistence of phases, and hysteresis on release of pressure. Such first-order signatures are found to be the same as the soft modes in BaWO4, which indicates the scheelite-to-fergusonite displacive phase transition hides a deeper physical mechanism. By the refinement of atomic displacement parameters, we further show that the first-order character of this phase transition stems from a coupling of large compression of soft BaOs polyhedrons to the small displacive distortion of rigid WO4 tetrahedrons. Such a coupling will lead to a deeper physical insight in the phase transition of the common scheelite-structured compounds.展开更多
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 11179030 and 90714011)the Knowledge Innovation Project of the Chinese Academy of Sciences (Grant No. KJCX2-SW-N20)
文摘Nearly all displacive transitions have been considered to be continuous or second order, and the rigid unit mode （RUM） provides a natural candidate for the soft mode. However, in-situ X-ray diffraction and Raman measurements show clearly the first-order evidences for the scheelite-to-fergusonite displacive transition in SaWO4： a 1.6% volume collapse, coexistence of phases, and hysteresis on release of pressure. Such first-order signatures are found to be the same as the soft modes in BaWO4, which indicates the scheelite-to-fergusonite displacive phase transition hides a deeper physical mechanism. By the refinement of atomic displacement parameters, we further show that the first-order character of this phase transition stems from a coupling of large compression of soft BaOs polyhedrons to the small displacive distortion of rigid WO4 tetrahedrons. Such a coupling will lead to a deeper physical insight in the phase transition of the common scheelite-structured compounds.
