高压下Nb<sub>3</sub>Sn单晶的超导相转变

石震天; 杨绪佳; 王豪阳; 乔力

doi:10.11858/gywlxb.20200615

高压下Nb₃Sn单晶的超导相转变

doi: 10.11858/gywlxb.20200615

太原理工大学机械与运载工程学院应用力学研究所，山西太原　030024

基金项目: 国家自然科学基金（11772212）

详细信息

作者简介:
石震天（1995－），男，硕士研究生，主要从事电磁固体力学研究. E-mail：384794451@qq.com

通讯作者:
乔　力（1984－），男，副教授，主要从事微纳米尺度结构材料力学、电磁固体力学研究. E-mail：qiaoli@tyut.edu.cn

中图分类号: O511.3；O521.2
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出版历程
- 收稿日期: 2020-09-21
- 修回日期: 2020-10-22

Superconducting Transition of Nb₃Sn Single Crystal under High-Pressure

Institute of Applied Mechanics, College of Mechanical and Vehicle Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China

摘要

摘要: 研究高压下Nb₃Sn单晶的超导相转变行为对探究力学变形诱导的材料超导性能弱化机理有重要意义。通过分子动力学模拟研究了Nb₃Sn单晶在高压下的原子尺度变形和晶体结构变化，在此基础上，建立了高压下Nb₃Sn单晶的超导相转变模型，模型预测结果与实验观测结果吻合较好。结果表明：静水压作用下，Nb₃Sn单晶体发生了明显的晶格畸变，但晶体结构保持完整；压力诱导的费米面上电子态密度的变化在高压下Nb₃Sn单晶体超导相转变中起主导作用。所得研究结果为研究高压下Nb₃Sn多晶体以及复合多晶体的相转变行为奠定了基础，同时有助于进一步认识Nb₃Sn材料超导性能的弱化机理。
- Nb₃Sn单晶 /
- 静水压 /
- T²依赖性电阻率 /
- 分子动力学模拟
Abstract: Study on the superconducting transition of single crystal Nb₃Sn under high pressure is valuable to understand the mechanism of critical performance degradation in superconducting Nb₃Sn, which is induced by the mechanical deformation. In this paper, on the basis of molecular dynamics simulations, we studied high-pressure induced atomic scale deformation and crystal lattice distortions of single crystal Nb₃Sn. Following this analysis, we established a superconducting transition model of single crystal Nb₃Sn under high pressure. There is a good agreement between model predictions and experimental observations. The results show that the high pressure induces obvious lattice distortions in single crystal Nb₃Sn, the lattice structure, however, remains intact. Pressure-induced change in density of states at the Fermi surface is shown to play a dominate role in superconducting transition in single crystal Nb₃Sn. The results lay a foundation of understanding the high pressure induced superconducting transition of polycrystalline Nb₃Sn. At the same time, they provide some detailed information on understanding the mechanism controlling for strain-induced critical performance degradation in Nb₃Sn.
- single crystal Nb₃Sn /
- hydrostatic pressure /
- T² dependent resistivity /
- molecular dynamics simulation

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图 1 $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $单晶体计算模型（a）和A15型晶格结构（b）

Figure 1. Calculation model of $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $ single crystal (a) and A15 type lattice structure (b)

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图 2 $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $单晶体积随温度的变化

Figure 2. Volume of $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $ single crystal varies with temperature

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图 3 4.2 K时Nb₃Sn单晶体在静水压作用下的变形情况

Figure 3. Deformation of Nb₃Sn single crystal under hydrostatic pressure at 4.2 K

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图 4 静水压加载下$ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $单晶体的应力分布

Figure 4. Stress distribution of $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $ single crystal under hydrostatic pressure

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图 5 $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $单晶体xz面的主应力分布

Figure 5. Principal stresses distribution of $ {\mathrm{N}\mathrm{b}}_{3}\mathrm{S}\mathrm{n} $ single crystal on the right side under hydrostatic pressure

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图 6 静水压作用下Nb₃Sn单晶体在低温区的电阻率随温度的变化

Figure 6. Change of resistivity with temperature in low temperature area for Nb₃Sn single crystal under hydrostatic pressure

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图 7 静水压作用下Nb₃Sn单晶体临界温度变化预测结果与实验结果对比

Figure 7. Comparison between the predicted and measured critical temperature of Nb₃Sn single crystal under hydrostatic pressure

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表 1 Nb₃Sn单晶的力学性能参数

Table 1. Elastic constants and lattice constant of Nb₃Sn single crystal

Method	C₁₁/GPa	C₁₂/GPa	C₄₄/GPa	Lattice constant/Å
This work	284.1	95.8	53.76	5.21
First principle	284.3	107.7	67.07	5.32
Experiment	253.8	112.4	39.60	5.29

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表 2 电阻率模型相关参数

Table 2. Parameters of resistivity model

${\;\rho{_0} }$/(μΩ·cm)	${A}{_0}$/(μΩ·cm·K⁻²)	${T}{_{1/2}^{{0}}}/\mathrm{K}$	$ C $	$ \bar{K} $
1.17	6.4×10⁻³	17.82	−0.7	0.13×10⁻²

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表 3 态密度函数相关参数

Table 3. Parameters of density of state function

${\chi }{_1}$	$ {\chi }{_2}$	$ {\chi }{_3} $	$ {\kappa }{_1} $	$ {\kappa }{_2}$	$ {\kappa }{_3}$
0.975	12.570	−9.225	−35.500	−7.490	−5.650

$ {\;\beta }{_{11}}$	$ {\;\beta }{_{12}} $	$ {\;\beta }{_{21}} $	$ {\;\beta }{_{22}} $	$ {\;\beta }{_{31}} $	$ {\;\beta }{_{32}} $
0.004 75	0.002 00	0.015 28	0.002 00	0.012 80	0.001 00

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