First-principles calculations and experimental studies on Cr2MnAl Heusler alloy nanoparticles for spintronics applications

IF 3.4 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR Solid State Sciences Pub Date : 2024-08-27 DOI:10.1016/j.solidstatesciences.2024.107679

Karthik G , Viswanathan E , Ravichandran K , Naveen Kumar T.R.

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Abstract

In depth understanding of the magnetic, structural and electrical properties of Heusler alloys are crucial to achieve potential applications in spin-based device. Wherein, we report the synthesis of Cr₂MnAl Heusler alloy nanoparticles (NPs) via co-precipitation method and also demonstrated their transport properties. Interestingly X-ray analysis confirms the cubic phase of the synthesized Heusler alloy NPs and transmission electron microscopy (TEM) analysis reveals that the Cr₂MnAl as particle size of 10 ± 2 nm. Moreover, this particle size has adverse effect on symmetry of Cr₂MnAl Heusler alloy due to their higher surface to volume ratio that significantly changes their magnetic and electrical properties. These NPs exhibit soft ferromagnetic properties with a Curie temperature (Tc) of 25 K. Besides, resistivity measurements indicate the semiconducting nature and also we report the observation of anomalous Hall effect. In addition, we support our experimental results by studying the electronic and magnetic properties of alloy using first principle calculations. This density functional theory reveals that Cr₂MnAl has half metallic characteristics with high spin polarization. In light of above, this material can be used as intermediate layer to decouple the two ferromagnetic layers which acts as spin-polarized carriers in spin-based device.

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用于自旋电子学应用的 Cr2MnAl Heusler 合金纳米粒子的第一性原理计算和实验研究

深入了解 Heusler 合金的磁性、结构和电学特性对于实现自旋器件的潜在应用至关重要。其中，我们报告了通过共沉淀法合成 Cr2MnAl Heusler 合金纳米颗粒（NPs）的情况，并展示了它们的传输特性。有趣的是，X 射线分析证实合成的 Heusler 合金 NPs 为立方相，透射电子显微镜（TEM）分析显示 Cr2MnAl 的粒径为 10 ± 2 nm。此外，这种粒度对 Cr2MnAl Heusler 合金的对称性有不利影响，因为它们的表面与体积比更高，从而显著改变了它们的磁性和电性。这些 NPs 表现出软铁磁特性，居里温度 (Tc) 为 25 K。此外，电阻率测量结果表明它们具有半导体性质，我们还报告了反常霍尔效应的观测结果。此外，我们还利用第一原理计算方法研究了合金的电子和磁性能，为实验结果提供了支持。密度泛函理论显示，Cr2MnAl 具有高自旋极化的半金属特性。有鉴于此，这种材料可用作中间层来解耦两个铁磁层，从而在基于自旋的器件中充当自旋极化载流子。

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来源期刊

Solid State Sciences 化学-无机化学与核化学

CiteScore

6.60

自引率

2.90%

发文量

214

审稿时长

27 days

期刊介绍： Solid State Sciences is the journal for researchers from the broad solid state chemistry and physics community. It publishes key articles on all aspects of solid state synthesis, structure-property relationships, theory and functionalities, in relation with experiments. Key topics for stand-alone papers and special issues: -Novel ways of synthesis, inorganic functional materials, including porous and glassy materials, hybrid organic-inorganic compounds and nanomaterials -Physical properties, emphasizing but not limited to the electrical, magnetical and optical features -Materials related to information technology and energy and environmental sciences. The journal publishes feature articles from experts in the field upon invitation. Solid State Sciences - your gateway to energy-related materials.