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首页> 外文期刊>Physical review >Cube-shaped diffuse scattering and the ground state of BaMg_(1/3)Ta_(2/3)O_3
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Cube-shaped diffuse scattering and the ground state of BaMg_(1/3)Ta_(2/3)O_3

机译：立方形状的散射和BaMg_（1/3）Ta_（2/3）O_3的基态

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摘要

A quite unusual diffuse scattering phenomenology was observed in the single-crystal x-ray diffraction pattern of cubic perovskite BMT (BaMg_(1/3)Ta_(2/3)O_3). The intensity of the scattering is parametrized as a set of cubelike objects located at the centers of reciprocal space unit cells, resembling very broad and cubic-shaped (1/2,1/2,1/2) satellites. BMT belongs to perovskites of formula AB'_(1/3)B"_(2/3)O_3 (A = Mg, B' = Ta, B" = Mg). The cubes of the intensity can be attributed to the partial correlations of the occupancies of the B site. The pair correlation function is the Fourier transform of the diffuse scattering intensity and the latter's idealized form yields the unusual property of a power-law correlation decay with distance. Up to now this has been observed only in a few exotic instances of magnetic order or nematic crystals. Therefore it cannot be classified as a short-range order phenomenon, as in most situations originating diffuse scattering. A Monte Carlo search in configuration space yielded solutions that reproduce faithfully the observed diffuse scattering. Analysis of the results in terms of the electrostatic energy and the entropy points to this phase of BMT as a metastable state, kinetically locked, which could be the equilibrium state just below the melting point.
机译：在立方钙钛矿BMT（BaMg_（1/3）Ta_（2/3）O_3）的单晶x射线衍射图中观察到了非常不寻常的漫散射现象。散射强度被参数化为位于相互空间单位单元中心的一组立方体对象，类似于非常宽且立方体形状的（1 / 2、1 / 2、1 / 2）卫星。 BMT属于式AB′_（1/3）B″ _（2/3）O_3的钙钛矿（A ＝ Mg，B′＝ Ta，B″ ＝ Mg）。强度的三次方可以归因于B位置占用的部分相关性。对相关函数是漫散射强度的傅立叶变换，后者的理想形式产生幂律相关衰减随距离的异常特性。迄今为止，仅在少数有序的磁序或向列晶体中观察到了这种情况。因此，不能将其归类为短程有序现象，因为在大多数情况下是由漫散射引起的。在配置空间中进行的蒙特卡洛搜索得出的解如实地再现了观察到的漫散射。对结果的静电能和熵分析表明，BMT处于该状态，处于亚稳态，在动力学上处于锁定状态，该状态可能是刚好低于熔点的平衡状态。

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  • 来源
    《Physical review》 |2012年第10期|p.104107.1-104107.12|共12页
  • 作者

    A. Cervellino; S. N. Gvasaliya; B. Roessli; G. M. Rotaru; R. A. Cowley; S. G. Lushnikov; T. A. Shaplygina; A. Bossak; D. Chernyshov;

  • 作者单位

    Swiss Light Source, Paul Scherrer Institut, CH-5232 Villigen, Switzerland,Laboratory for Neutron Scattering, PSI, CH-5232 Villigen, Switzerland;

    Laboratory for Neutron Scattering, PSI, CH-5232 Villigen, Switzerland,Neutron Scattering and Magnetism Group, Institute for Solid State Physics, ETH Zurich, Zurich, Switzerland;

    Laboratory for Neutron Scattering, PSI, CH-5232 Villigen, Switzerland;

    Laboratory for Neutron Scattering, PSI, CH-5232 Villigen, Switzerland;

    Clarendon Laboratory, Department of Physics, Oxford University, Parks Road, Oxford, UK;

    Ioffe Physical Technical Institute, 26 Politekhnicheskaya, 194021 St. Petersburg, Russia;

    Ioffe Physical Technical Institute, 26 Politekhnicheskaya, 194021 St. Petersburg, Russia;

    European Synchrotron Radiation Facility, Boite Postal 220, F-38043 Grenoble Cedex, France;

    Swiss-Norwegian Beam Lines at ESRF, 38043 Grenoble, France;

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  • 关键词

    dielectric, piezoelectric, ferroelectric, and antiferroelectricrnmaterialsrn; structural modeling: serial-addition models, computer simulation;

    机译：电介质;压电;铁电和反铁电材料结构建模：串行添加模型;计算机仿真;

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