La2SrCr2O7: Controlling the Tilting Distortions of n=2 Ruddlesden-Popper Phases through A-Site Cation Order

被引：21

作者：

Zhang, Ronghuan ^{[1
]}

Abbett, Brian M. ^{[2
]}

Read, Gareth ^{[1
]}

Lang, Franz ^{[3
]}

Lancaster, Tom ^{[4
]}

Tran, T. Thao ^{[5
]}

Halasyarnani, P. Shiv ^{[5
]}

Blundell, Stephen J. ^{[3
]}

Benedek, Nicole A. ^{[6
]}

Hayward, Michael A. ^{[1
]}

机构：

[1] Univ Oxford, Inorgan Chem Lab, Dept Chem, South Parks Rd, Oxford OX1 3QR, England

[2] Cornell Univ, Sch Appl & Engn Phys, Ithaca, NY 14853 USA

[3] Univ Oxford, Dept Phys, Clarendon Lab, Parks Rd, Oxford OX1 3PU, England

[4] Univ Durham, Dept Phys, South Rd, Durham DH1 3LE, England

[5] Univ Houston, Dept Chem, 112 Fleming Bldg, Houston, TX 77204 USA

[6] Cornell Univ, Dept Mat Sci & Engn, Ithaca, NY 14853 USA

来源：

INORGANIC CHEMISTRY | 2016年 / 55卷 / 17期

基金：

美国国家科学基金会;

关键词：

2ND-HARMONIC GENERATION; LAYERED PEROVSKITES; MAGNETIC-STRUCTURES; FERROELECTRICITY; ND; PIEZOELECTRICITY; CRYSTAL; DRIVEN; EU; BI;

D O I：

10.1021/acs.inorgchem.6b01445

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

Structural characterization by neutron diffraction, supported by magnetic, SHG, and mu+SR data, reveals that the n = 2 Ruddlesden-Popper phase La2SrCr2O7 adopts a highly unusual structural configuration in which the cooperative rotations of the CrO6 octahedra are out of phase in all three Cartesian directions (Phi Phi Phi(z)/Phi Phi Phi(z);a(-)a(-)c(-)/a(-)a(-)c(-)) as described in space group A2/a. First-principles DFT calculations indicate that this unusual structural arrangement can be attributed to coupling between the La/Sr A-site distribution and the rotations of the CrO6 units, which combine to relieve the local deformations of the chromium oxygen octahedra. This coupling suggests new chemical "handles" by which the rotational distortions or A-site cation order of Ruddlesden-Popper phases can be directed to optimize physical behavior. Low-temperature neutron diffraction data and mu+SR data indicate La2SrCr2O7 adopts a G-type antiferromagnetically ordered state below T-N similar to 260 K.

引用

页码：8951 / 8960

页数：10

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