The high-pressure structure of (1-x)Na0.5Bi0.5TiO3-xBaTiO3 at the morphotropic phase boundary.

Autor: Rösche, Constanze, Boffa Ballaran, Tiziana, Malcherek, Thomas, Paulmann, Carsten, Angel, Ross John, Gorfman, Semën, Mihailova, Boriana
Předmět:
Zdroj: Scientific Reports; 8/13/2024, Vol. 14 Issue 1, p1-9, 9p
Abstrakt: The pressure-induced structural changes in the perovskite-type (ABO 3 ) ferroelectric solid solution (1-x)Na 0.5 Bi 0.5 TiO 3 -xBaTiO 3 (NBT-xBT) at the morphotropic phase boundary (MPB) ( x MPB = 0.048 ) have been analyzed up to 12.3 GPa by single-crystal x-ray diffraction with synchrotron radiation. A pressure-induced phase transition takes place between 4.4 and 5.0 GPa, where the pseudocubic low-pressure phase transforms into an orthorhombic high-pressure phase with space group Pnma. The high-pressure phase is comprised of mixed BO 6 tilts and anti-polar A-cation displacements, without exhibiting coherent off-centered shifts of the B-site Ti 4 + cations that can be detected by synchrotron x-ray diffraction. Our results reveal that at ambient pressure and room temperature the NBT- x MPB BT structure possesses anti-phase BO 6 tilts with a relatively large correlation length and the same type of polar distortions as those present in pure NBT, but with strongly violated correlation length due to Ba 2 + -induced local elastic-stress fields. For x MPB the effect of Ba on the mesoscopic-scale structure is compensated by a mild external pressure of only 0.7 GPa, resulting in structural features resembling those of pure NBT at ambient conditions. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index
Nepřihlášeným uživatelům se plný text nezobrazuje