Inversion Symmetry Breaking by Oxygen Octahedral Rotations in the Ruddlesden-Popper NaRTiO4 Family

被引：67

作者：

Akamatsu, Hirofumi ^{[1
,2
]}

Fujita, Koji ^{[3
]}

Kuge, Toshihiro ^{[3
]}

Sen Gupta, Arnab ^{[1
,2
]}

Togo, Atsushi ^{[4
]}

Lei, Shiming ^{[1
,2
]}

Xue, Fei ^{[1
,2
]}

Stone, Greg ^{[1
,2
]}

Rondinelli, James M. ^{[5
]}

Chen, Long-Qing ^{[1
,2
]}

Tanaka, Isao ^{[4
]}

Gopalan, Venkatraman ^{[1
,2
]}

Tanaka, Katsuhisa ^{[3
]}

机构：

[1] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA

[2] Penn State Univ, Dept Mat Sci & Engn, University Pk, PA 16802 USA

[3] Kyoto Univ, Dept Chem Mat, Nishikyo Ku, Kyoto 6158510, Japan

[4] Kyoto Univ, Dept Mat Sci & Engn, Sakyo Ku, Kyoto 6068501, Japan

[5] Drexel Univ, Dept Mat Sci & Engn, Philadelphia, PA 19104 USA

来源：

PHYSICAL REVIEW LETTERS | 2014年 / 112卷 / 18期

基金：

美国国家科学基金会;

关键词：

LAYERED PEROVSKITE COMPOUNDS; INITIO MOLECULAR-DYNAMICS; TOTAL-ENERGY CALCULATIONS; MAGNETIC-PROPERTIES; IONIC-CONDUCTIVITY; NALNTIO(4) LN; FERROELECTRICITY; SM; DESIGN; EU;

D O I：

10.1103/PhysRevLett.112.187602

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Rotations of oxygen octahedra are ubiquitous, but they cannot break inversion symmetry in simple perovskites. However, in a layered oxide structure, this is possible, as we demonstrate here in A-site ordered Ruddlesden-Popper NaRTiO4 (R denotes rare-earth metal), previously believed to be centric. By revisiting this series via synchrotron x-ray diffraction, optical second-harmonic generation, piezoresponse force microscopy, and first-principles phonon calculations, we find that the low-temperature phase belongs to the acentric space group P(4) over bar 2(1)m, which is piezoelectric and nonpolar. The mechanism underlying this large new family of acentric layered oxides is prevalent, and could lead to many more families of acentric oxides.

引用

页数：5

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