First-Principles Study of Tetragonal BaTiO3 Subjected to Uniaxial Tensile Stress along the c Axis  

作　　者：王春梅 段益峰 陈常青 

机构地区：[1]MOE Key Laboratory, School of Aerospace, Xi'an Jiaotong University, Xi'an 710049 [2]Department of Physics, School of Sciences, China University of Mining and Technology, Xuzhou 221008

出　　处：《Chinese Physics Letters》2009年第1期276-279,共4页中国物理快报（英文版）

基　　金：Supported by the National Natural Science Foundation of China under Grant Nos 10425210, 90205030 and 10832002, and the National High Technology Research and Development Programme of China under Grant No 2006AA03Z519.

摘　　要：Tetragonal 13aTiO3 under uniaxial tensile stress along the c axis is investigated from first principles. The structural parameters and polarization show a little abrupt change near a critical stress σc of 4.57 GPa, which is related to the uniaxial tensile stress induced change of elastic constants. We also find that the ferroelectric lattice distortion increases with the increasing stress. Moreover, it is found that uniaxial tensile stress can enhance the piezoelectric strain coefficients, which reach their maximum values at the stress σc.Tetragonal 13aTiO3 under uniaxial tensile stress along the c axis is investigated from first principles. The structural parameters and polarization show a little abrupt change near a critical stress σc of 4.57 GPa, which is related to the uniaxial tensile stress induced change of elastic constants. We also find that the ferroelectric lattice distortion increases with the increasing stress. Moreover, it is found that uniaxial tensile stress can enhance the piezoelectric strain coefficients, which reach their maximum values at the stress σc.

分 类 号：O48[理学—固体物理]