Frenkel Anatoly I, Ehre David, Lyahovitskaya Vera, Kanner Leah, Wachtel Ellen, Lubomirsky Igor
Physics Department, Yeshiva University, 245 Lexington Avenue, New York, New York 10016, USA.
Phys Rev Lett. 2007 Nov 23;99(21):215502. doi: 10.1103/PhysRevLett.99.215502. Epub 2007 Nov 20.
Although neither SrTiO3 nor BaZrO3 has any polar crystalline polymorphs, they may form noncrystalline pyro- and piezoelectric phases [Adv. Mater. 19, 1515 (2007)10.1002/adma.200602149]. These phases and the similar phase of BaTiO3 have been called quasiamorphous. In this Letter, the structure of the quasiamorphous phase of SrTiO3 is examined by the x-ray absorption fine structure technique and found to be built of a random network of polar octahedral TiO6 local bonding units. While in crystalline SrTiO3 all TiO6 octahedra are apex sharing only, in its amorphous and quasiamorphous phases, some octahedra share edges. The polarity of the quasiamorphous phase is due to the partial alignment of the TiO6 octahedra. Such a mechanism is completely different from that of inorganic polar crystals. This mechanism should be possible in a large variety of other compounds that contain similar local bonding units.
尽管SrTiO₃和BaZrO₃都没有任何极性晶体多晶型物,但它们可能形成非晶态的热释电和压电相[《先进材料》19, 1515 (2007)10.1002/adma.200602149]。这些相以及BaTiO₃的类似相被称为准非晶态。在本信函中,通过X射线吸收精细结构技术研究了SrTiO₃准非晶态相的结构,发现其由极性八面体TiO₆局部键合单元的随机网络构成。在晶体SrTiO₃中,所有TiO₆八面体仅共顶,而在其非晶态和准非晶态相中,一些八面体共边。准非晶态相的极性归因于TiO₆八面体的部分取向。这种机制与无机极性晶体的机制完全不同。在包含类似局部键合单元的多种其他化合物中,这种机制应该是可行的。