SrBi4Ti4O15的铁电相变和铁电性-中国有色金属学报.PDF

25 9 2015 9 Volume 25 Number 9 The Chinese Journal of Nonferrous Metals Sep. 2015 1004-0609(2015)-09-2501-09 SrBi Ti O 4 4 15 (() 266580) SrBi Ti O (SBTi)(EET) 4 4 15 SrBi Ti O (SBTi)SBTi 4 4 15 −(Aama)(I4/mmm) SBTi a 25.81 μC/cm2 O641.1 A Ferroelectric phase transition and ferroelectricity of SrBi Ti O 4 4 15 XIAO Xiao-hong, LI Shi-chun (College of Mechanic and Electronic Engineering, China University of Petroleum (East China), Qingdao 266580, China) Abstract: The chemical bonds structures were analyzed by the atomic environment calculation method, and the valence electron structure of orthorhombic phase SrBi Ti O was calculated according to the EET theory, the numbers of the 4 4 15 effective valence electrons of each atom in SrBi Ti O were obtained. Furthermore, according to the theory of crystal 4 4 15 space group, the structures of orthogonal paraelectric phase (Aama) and the tetragonal paraelectric phase (I4/mmm) in the ferroelectric−paraelectric phase transition were constructed, and the atomic displacements in the phase transition were calculated by the atomic coordinate an