New type of Ti-rich HEA superconductors with high upper critical field

IF 9.3 1区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Acta Materialia Pub Date : 2024-12-23 DOI:10.1016/j.actamat.2024.120666

Piotr Sobota , Bartosz Rusin , Daniel Gnida , Rafał Topolnicki , Tomasz Ossowski , Wojciech Nowak , Adam Pikul , Rafał Idczak

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Abstract

Physical and structural properties of two high-entropy alloys (HEA), Ti_0.5(ZrNbHfTa)_0.5 and Ti_0.5(VNbHfTa)_0.5, belonging to the new type of Ti-rich HEA were studied by powder x-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive x-ray spectroscopy (EDXS), magnetization, electrical resistivity and specific heat measurements. The experimental results were supported by theoretical calculations of the electronic structure using projector augmented wave (PAW) within the density functional theory. Simulated structure relaxations with several degrees of freedom were applied to calculate the total density of states. It was found that both alloys are crystallizing in the bcc structure (space group

I m \bar{3} m

, W-type structure) despite the fact that they are formed in 75 and 62.5 at.% from elements crystallizing in hexagonal structure. The presence of minor stoichiometric variations in the samples was detected by EDXS mapping, but its effect on the physical properties seemed negligible. At low temperatures, the alloys become type II superconductors, with a critical temperature in the range of 5.9 – 6.0 K and an upper critical field reaching 13.5 T, a value that is exceptionally high for HEA

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高上临界场新型富钛HEA超导体

采用粉末x射线衍射（XRD）、扫描电镜（SEM）、能量色散x射线能谱（EDXS）、磁化率、电阻率和比热测量等方法研究了两种新型富钛HEA高熵合金Ti0.5(ZrNbHfTa)0.5和Ti0.5(VNbHfTa)0.5的物理结构性能。实验结果得到了密度泛函理论中投影增广波（PAW）理论计算的支持。采用模拟的具有多个自由度的结构松弛来计算状态的总密度。结果表明，尽管这两种合金均形成于75和62.5 at，但均以bcc结构（空间群Im3¯mIm3¯m， w型结构）结晶。%来自元素结晶成六角形结构。EDXS制图检测到样品中存在微小的化学计量变化，但其对物理性质的影响似乎可以忽略不计。在低温下，合金成为II型超导体，临界温度在5.9 - 6.0 K范围内，最高临界场达到13.5 T，这对于HEA来说是非常高的

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来源期刊

Acta Materialia 工程技术-材料科学：综合

CiteScore

16.10

自引率

8.50%

发文量

801

审稿时长

53 days

期刊介绍： Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.