Combined structural refinement and spontaneous polarization study of Bi3.5Ce0.5Ti3O12 by using x-ray and neutron powder diffraction data

被引：3

作者：

Jeon, Min Ku ^{[1
,2
]}

Kim, Yong-Il ^{[3
]}

Nahm, Seung-Hoon ^{[3
]}

Jung, Chang Hwa ^{[1
,2
]}

Woo, Seong Ihl ^{[1
,2
]}

机构：

[1] Korea Adv Inst Sci & Technol, Dept Chem & Biomol Engn, BK21 Grad Program, Taejon 305701, South Korea

[2] Korea Adv Inst Sci & Technol, CUPS, Taejon 305701, South Korea

[3] Korea Res Inst Stand & Sci, Taejon 305600, South Korea

来源：

JOURNAL OF PHYSICS D-APPLIED PHYSICS | 2008年 / 41卷 / 08期

关键词：

D O I：

10.1088/0022-3727/41/8/085419

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

Combined structural refinement of Bi3.5Ce0.5Ti3O12 was carried out by using both neutron and x-ray diffraction results based on the monoclinic space group of B1a1. Weighted R-factors were 6.29% and 8.17% for the neutron and x-ray diffraction data, respectively. The goodness-of-fit indicator (S) was 1.9 for all patterns. Lattice parameters were a = 5.4229(6) angstrom, b = 5.4038(6) angstrom and c = 32.8838(5) angstrom. The beta angle was 90.10(1)degrees. Spontaneous polarization (P-s) calculated from the refinement results was 26.7 mu C cm(-2). The contribution of each atom on the spontaneous polarization was plotted and it was clearly shown that the distortion of TiO6 octahedrons was the key factor that determines spontaneous polarization.

引用

页数：4

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[21] Thermodynamic properties and X-ray diffraction of Bi4Ti3O12 [J].

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