半休斯勒 VXPt(X = Br、Se)合金的磁电子学和光电子学属性:第一原理研究

IF 2.5 3区 材料科学 Q3 MATERIALS SCIENCE, MULTIDISCIPLINARY
Faiza Firdous , Saif M.H. Qaid , Abdullah S. Aldwayyan , Abdullah Ahmed Ali Ahmed , Junaid Munir
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引用次数: 0

摘要

高自旋极化磁性材料可能有助于自旋电子学的应用。利用 WIEN2k 代码对半赫斯勒 VXPt(X = Br、Se)合金的自旋极化磁性、光学、电子和结构属性进行了理论探索和计算。对结构的基态进行了优化,并计算了体积模量和晶格常数。从形成能得到的数值显示了它们的稳定性。对于 VBrPt,主要和少数自旋载流子存在能隙,而对于 VSePt,主要自旋载流子表现出能隙,少数自旋载流子则具有金属特性。通过对状态密度的研究,带状结构得到了进一步的深入说明。电子密度图描述了两种合金中的离子键。此外,还对磁矩进行了评估,所记录的数值支持了 VBrPt 和 VSePt 的磁特性。 通过计算各种参数,确定了所研究合金对光的反应。虚分量和吸收系数预计了可见光区域内的大量光吸收。计算结果揭示了所研究合金在自旋电子学中的应用潜力。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Magneto-electronic and optoelectronic attributes of half-Heusler VXPt (X = Br, Se) alloys: A first-principles study
High-spin polarized magnetic materials might be useful in spintronics applications. The spin-polarized magnetic, optical, electronic and structural attributes of half-Heusler VXPt (X = Br, Se) alloys were theoretically explored and calculated using the WIEN2k code. The ground states of the structures are optimized, and the bulk moduli and lattice constants are computed. The values obtained from the formation energies show their stability. For VBrPt, an energy gap is present in major and minority spin carriers, while for VSePt, major spin carriers exhibit an energy gap and metallic character is seen in minority spin carriers. The band structures are further illustrated deeply through the investigation of density of states. The electron density graphs depict the ionic bonding in both alloys. The magnetic moments are additionally assessed, and the recorded values support the magnetic characteristics of VBrPt and VSePt. The assessment of how the studied alloys react to light is determined by computing various parameters. The imaginary component and absorption coefficient anticipate substantial light absorption within the visible region. The calculated outcomes unveiled the potential of the examined alloys for applications in spintronics.
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来源期刊
Journal of Magnetism and Magnetic Materials
Journal of Magnetism and Magnetic Materials 物理-材料科学:综合
CiteScore
5.30
自引率
11.10%
发文量
1149
审稿时长
59 days
期刊介绍: The Journal of Magnetism and Magnetic Materials provides an important forum for the disclosure and discussion of original contributions covering the whole spectrum of topics, from basic magnetism to the technology and applications of magnetic materials. The journal encourages greater interaction between the basic and applied sub-disciplines of magnetism with comprehensive review articles, in addition to full-length contributions. In addition, other categories of contributions are welcome, including Critical Focused issues, Current Perspectives and Outreach to the General Public. Main Categories: Full-length articles: Technically original research documents that report results of value to the communities that comprise the journal audience. The link between chemical, structural and microstructural properties on the one hand and magnetic properties on the other hand are encouraged. In addition to general topics covering all areas of magnetism and magnetic materials, the full-length articles also include three sub-sections, focusing on Nanomagnetism, Spintronics and Applications. The sub-section on Nanomagnetism contains articles on magnetic nanoparticles, nanowires, thin films, 2D materials and other nanoscale magnetic materials and their applications. The sub-section on Spintronics contains articles on magnetoresistance, magnetoimpedance, magneto-optical phenomena, Micro-Electro-Mechanical Systems (MEMS), and other topics related to spin current control and magneto-transport phenomena. The sub-section on Applications display papers that focus on applications of magnetic materials. The applications need to show a connection to magnetism. Review articles: Review articles organize, clarify, and summarize existing major works in the areas covered by the Journal and provide comprehensive citations to the full spectrum of relevant literature.
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