Orientation-dependent ferroelectricity of strained PbTiO3 films  

作　　者：Hui-Min Zhang Ming An Xiao-Yan Yao Shuai Dong 

机构地区：[1]Department of Physics, Southeast University, Nanjing 211189, China

出　　处：《Frontiers of physics》2015年第6期103-107,共5页物理学前沿（英文版）

基　　金：Acknowledgements The work was supported by the National Natural Science Foundation of China （Grant Nos. 51322206 and 11274060） and the Natural Science Foundation of Jiangsu Province of China （Grant No. BK20141329）.

摘　　要：PbTiO3 is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [001]-orientated films. There are few studies on PbTiO3 films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO3 films strained by SrTiO3 and LaAlO3 substrates. Our results show that the polarization of PbTiO3 films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO3 mainly depends on the tetragonality of the lattice, instead of the simple strain.PbTiO3 is a simple but very important ferroelectric oxide that has been extensively studied and widely used in various technological applications. However, most previous studies and applications were based on the bulk material or the conventional [001]-orientated films. There are few studies on PbTiO3 films grown along other crystalline axes. In this study, a first-principles calculation was performed to compute the polarization of PbTiO3 films strained by SrTiO3 and LaAlO3 substrates. Our results show that the polarization of PbTiO3 films strongly depends on the growth orientation as well as the monoclinic angles. Further, it is suggested that the ferroelectricity of PbTiO3 mainly depends on the tetragonality of the lattice, instead of the simple strain.

关 键 词：PBTIO3 TETRAGONALITY STRAIN 

分 类 号：TM221[一般工业技术—材料科学与工程] O484.41[电气工程—电工理论与新技术]