Phase transitions of Pb(ZrxTi1-x)O3 ceramics -: art. no. 064108

被引:139
作者
Frantti, J
Ivanov, S
Eriksson, S
Rundlöf, H
Lantto, V
Lappalainen, J
Kakihana, M
机构
[1] Tokyo Inst Technol, Mat & Struct Lab, Midori Ku, Yokohama, Kanagawa 2268503, Japan
[2] Karpov Inst Phys Chem, Dept Inorgan Mat, Xray Lab, RU-103064 Moscow, Russia
[3] Uppsala Univ, Studsvik Neutron Res Lab, SE-61182 Nykoping, Sweden
[4] Univ Oulu, Microelect Lab, FIN-90014 Oulu, Finland
[5] Univ Oulu, Phys Mat Lab, FIN-90014 Oulu, Finland
关键词
D O I
10.1103/PhysRevB.66.064108
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
Recent experimental and theoretical reports on the structure of lead zirconate titanate [Pb(ZrxTi1-x)O-3 (PZT)] ceramics with compositions in the vicinity of the morphotropic phase boundary are discussed. There has been ambiguity concerning the low-temperature structure of x=0.52 samples, due to the superlattice reflections which were not explained by the reported monoclinic phase Cm [B. Noheda, D. E. Cox, G. Shirane, R. Guo, B. Jones, and L. E. Cross, Phys. Rev. B 63, 014103 (2001)]. Neutron powder diffraction (NPD) and Rietveld refinement were used to identify the space group symmetries of x=0.52 and x=0.53 samples at 10 K. Both samples had two coexisting phases R3c and Cm at 10 K. At 10 K, monoclinic angles of both samples were larger than at 295 K, as was the octahedral tilt angle of the R3c phase of the x=0.53 sample. We analyzed our previous and current NPD data to study the structural changes in PZT ceramics, 0.20less than or equal toxless than or equal to0.53, as a function of x and temperature. Bond-valence calculations were carried out to test the models used in Rietveld refinements. Valences of Zr and Ti ions were larger and smaller than their nominal valences, respectively, although the anomaly decreased with increasing x. The composition-weighted-average valence of Zr and Ti ions was close to +4, and the relationship between the positions and valences of Zr and Ti ions explains the main structural features of PZT ceramics as a function of x. The valence of Pb ions was slightly below +2 and decreased with increasing x until it started to slightly increase for xgreater than or equal to0.50. Average oxygen valency was found to be close to -2. Also spontaneous polarization values were computed and found to be reasonable.
引用
收藏
页码:641081 / 6410815
页数:15
相关论文
共 43 条
[1]   Finite-temperature properties of Pb(Zr1-xTix)O3 alloys from first principles [J].
Bellaiche, L ;
García, A ;
Vanderbilt, D .
PHYSICAL REVIEW LETTERS, 2000, 84 (23) :5427-5430
[2]   THE INFLUENCE OF INTERNAL STRAIN ON THE CHARGE-DISTRIBUTION AND SUPERCONDUCTING TRANSITION-TEMPERATURE IN BA2YCU3OX [J].
BROWN, ID .
JOURNAL OF SOLID STATE CHEMISTRY, 1991, 90 (01) :155-167
[3]   Thermal expansion of chemical bonds [J].
Brown, ID ;
Dabkowski, A ;
McCleary, A .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1997, 53 :750-761
[4]   BOND-VALENCE PARAMETERS OBTAINED FROM A SYSTEMATIC ANALYSIS OF THE INORGANIC CRYSTAL-STRUCTURE DATABASE [J].
BROWN, ID ;
ALTERMATT, D .
ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 1985, 41 (AUG) :244-247
[5]   LINEAR DISORDER IN CRYSTALS (SILICON, QUARTZ AND FERROELECTRIC PEROVSKITES) [J].
COMES, R ;
LAMBERT, M ;
GUINIER, A .
ACTA CRYSTALLOGRAPHICA SECTION A-CRYSTAL PHYSICS DIFFRACTION THEORETICAL AND GENERAL CRYSTALLOGRAPHY, 1970, A 26 :244-&
[6]   A neutron diffraction investigation into the rhombohedral phases of the perovskite series PbZr1-xTixO3 [J].
Corker, DL ;
Glazer, AM ;
Whatmore, RW ;
Stallard, A ;
Fauth, F .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1998, 10 (28) :6251-6269
[7]  
Frantti J, 2001, FERROELECTRICS, V261, P857
[8]   Local and average structure of lead titanate based ceramics [J].
Frantti, J ;
Ivanov, S ;
Lappalainen, J ;
Eriksson, S ;
Lantto, V ;
Nishio, S ;
Kakihana, M ;
Rundlöf, H .
FERROELECTRICS, 2002, 266 :73-90
[9]   Effect of A- and B-cation substitutions on the phase stability of PbTiO3 ceramics [J].
Frantti, J ;
Lantto, V ;
Nishio, S ;
Kakihana, M .
PHYSICAL REVIEW B, 1999, 59 (01) :12-15
[10]   Low-temperature Raman studies of Pb(ZrxTi1-x)O3 and Pb1-3y/2NdyTiO3 ceramics [J].
Frantti, J ;
Lappalainen, J ;
Lantto, V ;
Nishio, S ;
Kakihana, M .
JAPANESE JOURNAL OF APPLIED PHYSICS PART 1-REGULAR PAPERS SHORT NOTES & REVIEW PAPERS, 1999, 38 (9B) :5679-5682