高温高压淬火法制备cr7c3的电磁性能和热稳定性。

IF 2.6 4区 物理与天体物理 Q3 PHYSICS, CONDENSED MATTER Journal of Physics: Condensed Matter Pub Date : 2025-02-27 DOI:10.1088/1361-648X/adaf65
Zekun Yu, Chao Zhou, Kuo Bao, Zhaoqing Wang, Pinwen Zhu, Qiang Tao, Tian Cui
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引用次数: 0

摘要

二元过渡金属碳化物(BTMC)的碳骨架和金属原子之间的相互作用在工业应用中具有开放的物理和化学问题,特别是在磁电(ME)功能材料和硬质合金中。铬、碳btmc是一类具有典型化学式的金属间化合物,具有多晶粉末c -铬的特殊特性。本文采用高密度、结晶度好、空间基团为Pnma的单相块体Cr7C3(正交晶系),采用高温高压淬火法(HTHPQM)合成。通过实验测量和密度泛函理论(DFT)从头模拟研究了Cr7C3的材料性能和电子结构,发现Cr7C3是一种压实导体(97.2%),具有优异的电导率和热稳定性(氧化(2.32 10×at 1175 -3K)Ω·m),相对较高的磁相,在50 K左右从顺磁性转变为软铁磁性。电磁特性主要是由于Cr的三维电子的丰度,而C和Cr与它们的2p和三维电子之间的轨道杂化是晶体结构和高热稳定性的原因。因此,制备的Cr7C3是一种具有较好应用前景的多功能材料,HPHTQM是制备btmc样品的一种简单有效的方法。
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Electromagnetism and thermostability of Cr7C3synthesised with high-temperature and high-pressure quenching method.

The interactions between the carbon skeleton and metal atoms in binary transition metal carbides are of particular interest for industrial applications involving advanced physics and chemistry, especially in magnetoelectric functional materials and cemented carbides. Cr and carbon BTMCs are a series of intermetallic compounds with specific chemical formulas that share certain unique characteristics. In this study, we used polycrystalline powders of chromium and carbon as precursors and synthesised single-phase bulk Cr7C3(orthorhombic, space group:Pnma) with high density and good crystallinity using a high-temperature and high-pressure quenching method (HTHPQM). We studied the material properties and electronic structures of Cr7C3with both experimental measurements and density functional theoryab intiosimulations and found that Cr7C3is a conductor with an electrical conductivity (2.32 × 10-3Ω m), relatively high compaction (97.2%), excellent thermostability (oxidation at 1175 K), and a magnetic phase transition from paramagnetism to soft ferromagnetism around 50 K, and the electromagnetic properties are chiefly due to the abundance of the 3delectrons of Cr, and the orbital hybridisation between C and Cr with their 2pand 3delectrons is the reason for the crystal structure and high thermostability. Therefore, the synthesised Cr7C3is a multifunctional material with promising application prospects, and HPHTQM is a simple and effective method for preparing samples.

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来源期刊
Journal of Physics: Condensed Matter
Journal of Physics: Condensed Matter 物理-物理:凝聚态物理
CiteScore
5.30
自引率
7.40%
发文量
1288
审稿时长
2.1 months
期刊介绍: Journal of Physics: Condensed Matter covers the whole of condensed matter physics including soft condensed matter and nanostructures. Papers may report experimental, theoretical and simulation studies. Note that papers must contain fundamental condensed matter science: papers reporting methods of materials preparation or properties of materials without novel condensed matter content will not be accepted.
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