Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis

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	Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis
	Duan, YF ; Shi, HL ; Qin, LX
刊名	journal of physics-condensed matter
	2008
卷号	20 期号:17 页码:art. no. 175210
关键词	FUNCTIONAL PERTURBATION-THEORY BORN EFFECTIVE CHARGES ELECTROMECHANICAL RESPONSE POLARIZATION ROTATION PEROVSKITE OXIDES MONOCLINIC PHASE 1ST-PRINCIPLES RELAXORS TITANATE
ISSN号	0953-8984
通讯作者	duan, yf, chinese acad sci, inst semicond, state key lab superlattices & microstruct, pob 912, beijing 100083, peoples r china. 电子邮箱地址: yifeng@semi.ac.cn
中文摘要	tetragonal pbtio3 under uniaxial stress along the c-axis is investigated from first-principles. the structural parameters, polarization, and squares of the lowest optical phonon frequencies for e(1to) and a(1)(1to) modes at gamma show abrupt changes near a stress sigma(c) of 1.04 gpa, which is related to the dramatic change of elastic constant c(33) resulting from the uniaxial stress applied along the c-axis. we also find that the uniaxial compressive stress could enhance the piezoelectric stress coefficients, whereas the uniaxial tensile stress could enhance the piezoelectric strain coefficients. it is also found that when the magnitude of uniaxial compressive stress sigma(33) is greater than 12 gpa, pbtio3 is transformed to the paraelectric tetragonal phase.
学科主题	半导体物理
收录类别	SCI
语种	英语
公开日期	2010-03-08
内容类型	期刊论文
源URL	[http://ir.semi.ac.cn/handle/172111/6748]
专题	半导体研究所_中国科学院半导体研究所（2009年前）
推荐引用方式 GB/T 7714	Duan, YF,Shi, HL,Qin, LX. Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis[J]. journal of physics-condensed matter,2008,20(17):art. no. 175210.
APA	Duan, YF,Shi, HL,&Qin, LX.(2008).Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis.journal of physics-condensed matter,20(17),art. no. 175210.
MLA	Duan, YF,et al."Studies of tetragonal PbTiO3 subjected to uniaxial stress along the c-axis".journal of physics-condensed matter 20.17(2008):art. no. 175210.