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Structural transition in the magnetoelectric ZnCr_2Se_4 spinel under pressure

机译:压力下磁电ZnCr_2Se_4尖晶石的结构转变

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摘要

The magnetoelectric ZnCr_2Se_4 spinel, with space group Fd3m, undergoes a reversible first-order structural transition initiating at 17 GPa, as revealed by our high-pressure x-ray diffraction studies at room temperature. We tentatively assign the high-pressure modification to an AMo_2S_4-type phase, a distorted variant of the monoclinic Cr_3S_4 structure. Furthermore, our Raman investigation provides evidence for a pressure-induced insulator-metal transition. Our density functional theory calculations successfully reproduce the structural transition. They indicate significant band gap and magnetic moment reduction accompanying the pressure-induced structural modification. We discuss our findings in conjunction with the available high-pressure results on other Cr-based chalcogenide spinels.
机译:正如我们在室温下进行的高压X射线衍射研究所揭示的那样,空间群为Fd3m的磁电ZnCr_2Se_4尖晶石在17 GPa处经历了可逆的一级结构转变。我们将高压变型暂时分配给AMo_2S_4型相,这是单斜Cr_3S_4结构的变形形式。此外,我们的拉曼研究为压力引起的绝缘体-金属过渡提供了证据。我们的密度泛函理论计算成功地再现了结构转变。它们表明伴随压力引起的结构改变,带隙和磁矩明显减小。我们将结合其他基于Cr的硫族元素尖晶石的高压结果来讨论我们的发现。

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  • 来源
    《Physical review》 |2016年第17期|174103.1-174103.8|共8页
  • 作者单位

    Department of Physics, Oakland University, Rochester, Michigan 48309, USA,Helmholtz-Zentrum Potsdam, Deutsches GeoForschungsZentrum GFZ, Section 4.3, Telegrafenberg, 14473, Potsdam, Germany;

    Department of Physics and Astronomy, University of Toledo, Toledo, Ohio 43606, USA;

    Department of Physics and Astronomy, University of Toledo, Toledo, Ohio 43606, USA;

    School of Materials Science and Engineering, Oklahoma State University, Tulsa, Oklahoma 74106, USA;

    Institute of Applied Physics, Academy of Sciences of Moldova, MD-2028 Chisinau, Republic of Moldova,Experimental Physics 5, Center for Electronic Correlations and Magnetism, Institute of Physics, University of Augsburg, D-86159 Augsburg, Germany;

    Institute of Applied Physics, Academy of Sciences of Moldova, MD-2028 Chisinau, Republic of Moldova;

    High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institution of Washington, Argonne, Illinois 60439, USA;

    Department of Physics, Oakland University, Rochester, Michigan 48309, USA;

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