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Antiferromagnetism in Cr_3Al and relation to semiconducting behavior

机译:Cr_3Al中的反铁磁性及其与半导体行为的关系

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摘要

Antiferromagnetism and chemical ordering have both been previously suggested as causes of the observed semiconductorlike behavior in Cr_3Al. Two films of Cr_3Al(001)/MgO(001) were grown under different conditions to achieve different types of chemical ordering and electronic properties: one X-phase structure (semiconducting) and one C11_b structure (metallic). The films were investigated by x-ray and neutron diffraction. Both films show commensurate antiferromagnetic order, with a high Neel temperature greater than 578 K, showing that the antiferromagnetism in Cr_3Al is quite robust. Density-functional theory calculations were performed and it was shown that the well-known antiferromagnetic pseudogap in the density of states occurs for all types of chemical ordering considered. The conclusion of these studies is that the antiferromagnetism causes a pseudogap in the density of states, which is a necessary condition for the semiconductorlike transport behavior; however, that antiferromagnetism is seen in both metallic and semiconducting Cr_3Al samples shows that antiferromagnetism is not a sufficient condition for semiconducting behavior. Chemical ordering is equally important.
机译:先前已提出反铁磁性和化学有序性是在Cr_3Al中观察到的类似半导体行为的原因。在不同条件下生长了两层Cr_3Al(001)/ MgO(001),以实现不同类型的化学有序性和电子性能:一种X相结构(半导体)和一种C11_b结构(金属)。通过X射线和中子衍射研究膜。这两张膜都显示出相称的反铁磁顺序,并且Neel温度高于578 K,这表明Cr_3Al中的反铁磁非常坚固。进行了密度泛函理论计算,结果表明,对于所考虑的所有类型的化学有序现象,在状态密度中都存在众所周知的反铁磁伪间隙。这些研究的结论是,反铁磁性会引起状态密度的伪间隙,这是类半导体传输行为的必要条件。但是,在金属和半导电Cr_3Al样品中都可以看到反铁磁性,这表明反铁磁性不是半导体行为的充分条件。化学排序同样重要。

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  • 来源
    《Physical review》 |2012年第9期|p.094413.1-094413.8|共8页
  • 作者单位

    Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA,Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA,Material Measurement Laboratory, National Institute of Standards and Technology, Gaithersburg MD 20899;

    Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia,School of Physics, University of Western Australia, 35 Stirling Highway, Crawley, Western Australia 6009, Australia;

    Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia,School of Chemistry, The University of Sydney, New South Wales 2006, Australia;

    Bragg Institute, Australian Nuclear Science and Technology Organisation, Lucas Heights, New South Wales 2234, Australia;

    Cornell Nanoscale Facility, Cornell University, Ithaca, New York 14853 USA;

    Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA,Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA;

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  • 原文格式 PDF
  • 正文语种 eng
  • 中图分类
  • 关键词

    antiferromagnetics; intermetallic compounds; electronic structure of disordered solids;

    机译:反铁磁金属间化合物无序固体的电子结构;

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