一种光纤传感器敏感材料:Dy8Fe16-xCox (x=0,2,3):第一性原理计算

Yue Yuan, T. Shen, Chi Liu, Tianyu Yang, Aina Gong
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引用次数: 0

摘要

本文采用第一性原理计算方法研究了Dy8Fe16-xCox (x=0,2,3)化合物的结构、电学、磁学和光学性质。其中,结构性质表明,DyFe2、Dy8Fe14Co2和Dy8Fe13Co3原子对称分布,各层形成三角形。此外,电性能计算表明,这三种化合物具有明显的金属性质和铁磁性。同时,在磁性计算中发现了一个有趣的现象,在保证各层三角对称的前提下,同一元素的同一电子轨道的磁矩是相同的。最后,为了研究Dy8Fe16-xCox (x=0,2,3)的光学性质,我们计算了三种具有光子能量的化合物的光学吸收光谱。发现吸收光谱在紫外范围内发生红移。以上基本物性计算可以为Dy8Fe16-xCox (x=0,2,3)的光学元件提供理论指导。为提高Dy8Fe16-xCox (x=0,2,3)复合光纤传感的灵敏度奠定了基础。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Sensitive Material for Optical Fiber Sensor : — Dy8Fe16-xCox (x=0,2,3): First-principles calculations
In this paper, the structural, electrical, magnetic and optical properties of Dy8Fe16-xCox (x=0,2,3) compounds have been studied by first principles calculation. Among them, the structural properties show that the atoms of DyFe2, Dy8Fe14Co2 and Dy8Fe13Co3 are symmetrically located, and each layer forms a triangle. In addition, the calculation of electrical properties shows that the three compounds have obvious metal properties and ferromagnetism. At the same time, an interesting phenomenon was found in the magnetic calculation, The magnetic moment of the same electron orbit of the same element is the same on the premise of ensuring the triangle symmetry of each layer. Finally, in order to study the optical properties of Dy8Fe16-xCox (x=0,2,3), We calculated the optical absorption spectra of the three compounds with photon energy. It is found that the absorption spectrum is red shifted in the ultraviolet range. The above basic physical property calculations could provide theoretical guidance for the optical elements of Dy8Fe16-xCox (x=0,2,3). It also lays a foundation for improving the sensitivity of Dy8Fe16-xCox (x=0,2,3) compound optical fiber sensing.
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