Impact of composition on the properties of full-Heusler Ti2FexMn1-xAl alloys in spintronics

IF 4.3 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Materials Chemistry and Physics Pub Date : 2024-10-09 DOI:10.1016/j.matchemphys.2024.130013

Abbas A. Abdulridha , Zahra Nourbakhsh , Daryoosh Vashaee

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Abstract

This study explores the structural, electronic, and magnetic characteristics of full-Heusler Ti₂Fe_xMn_1-xAl alloys for spintronic applications. The regular Heusler structure is identified as the most stable across all x concentrations. The inverse Heusler structure exhibits half-metallic behavior with a finite energy band gap in the spin-up states, while the regular structure shows metallic behavior for both spin directions. Dirac-like points along the M→Γ direction are observed, particularly in alloys with x = 0 and 0.25 (inverse structure) and x = 0.5, 0.75, and 1 (regular structure), indicating advanced electronic properties. Magnetic analysis reveals that Ti atoms' local magnetic moments are antiparallel to those of Mn and Fe atoms. The total magnetic moment is highest for x = 1 (Ti₂MnAl) and nearly zero for x = 0 (Ti₂FeAl). Additionally, the inverse Heusler structure achieves 100 % spin polarization at the Fermi energy, underscoring its suitability for spintronic applications. This study highlights the potential of Ti₂Fe_xMn_1-xAl alloys for future spintronic devices.

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成分对自旋电子学中全赫斯勒 Ti2FexMn1-xAl 合金特性的影响

本研究探讨了用于自旋电子应用的全 Heusler Ti2FexMn1-xAl 合金的结构、电子和磁性特征。在所有 x 浓度下，规则 Heusler 结构都是最稳定的。反Heusler结构在自旋上升态表现出有限能带隙的半金属性，而规则结构在两个自旋方向都表现出金属性。沿 M→Γ 方向观察到类似狄拉克的点，尤其是在 x = 0 和 0.25（反向结构）以及 x = 0.5、0.75 和 1（规则结构）的合金中，这表明合金具有先进的电子特性。磁性分析表明，钛原子的局部磁矩与锰原子和铁原子的局部磁矩相反。x = 1（Ti2MnAl）时的总磁矩最大，而 x = 0（Ti2FeAl）时的总磁矩几乎为零。此外，反海斯勒结构在费米能达到了 100% 的自旋极化，突出了它在自旋电子应用中的适用性。这项研究凸显了 Ti2FexMn1-xAl 合金在未来自旋电子器件中的潜力。

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来源期刊

Materials Chemistry and Physics 工程技术-材料科学：综合

CiteScore

8.70

自引率

4.30%

发文量

1515

审稿时长

69 days

期刊介绍： Materials Chemistry and Physics is devoted to short communications, full-length research papers and feature articles on interrelationships among structure, properties, processing and performance of materials. The Editors welcome manuscripts on thin films, surface and interface science, materials degradation and reliability, metallurgy, semiconductors and optoelectronic materials, fine ceramics, magnetics, superconductors, specialty polymers, nano-materials and composite materials.