Effect of strain on charge density wave order in α-U

doi:10.1088/1674-1056/ac4f4d

中国物理B ›› 2022, Vol. 31 ›› Issue (6): 67103-067103.doi: 10.1088/1674-1056/ac4f4d

Effect of strain on charge density wave order in α-U

Liuhua Xie(谢刘桦)^1,2, Hongkuan Yuan(袁宏宽)¹, and Ruizhi Qiu(邱睿智)^2,†

1 School of Physical Science and Technology, Southwest University, Chongqing 400715, China;
2 Institute of Materials, China Academy of Engineering Physics, Mianyang 621907, China

收稿日期:2021-11-12 修回日期:2022-01-18 接受日期:2022-01-27 出版日期:2022-05-17 发布日期:2022-05-19
通讯作者: Hongkuan Yuan, Ruizhi Qiu E-mail:yhk10@swu.edu.cn;qiuruizhi@caep.cn
基金资助:
The work was supported by the National Natural Science Foundation of China (Grant Nos. 22176181, 11874306, and 12174320), the Foundation of Science and Technology on Surface Physics and Chemistry Laboratory (Grant No. WDZC202101), and the Natural Science Foundation of Chongqing, China (Grant No. cstc2021jcyj-msxmX0209).

Effect of strain on charge density wave order in α-U

Liuhua Xie(谢刘桦)^1,2, Hongkuan Yuan(袁宏宽)¹, and Ruizhi Qiu(邱睿智)^2,†

1 School of Physical Science and Technology, Southwest University, Chongqing 400715, China;
2 Institute of Materials, China Academy of Engineering Physics, Mianyang 621907, China

Received:2021-11-12 Revised:2022-01-18 Accepted:2022-01-27 Online:2022-05-17 Published:2022-05-19
Contact: Hongkuan Yuan, Ruizhi Qiu E-mail:yhk10@swu.edu.cn;qiuruizhi@caep.cn
Supported by:
The work was supported by the National Natural Science Foundation of China (Grant Nos. 22176181, 11874306, and 12174320), the Foundation of Science and Technology on Surface Physics and Chemistry Laboratory (Grant No. WDZC202101), and the Natural Science Foundation of Chongqing, China (Grant No. cstc2021jcyj-msxmX0209).

摘要/Abstract

摘要： The effect of strain on charge density wave (CDW) order in $\alpha$-U is investigated within the framework of relativistic density-functional theory. The energetical stability of $\alpha$-U with CDW distortion is enhanced by the tensile strain along $a$ and $b$ axes, which is similar to the case of negative pressure and normal. However, the tensile strain along $c$ axis suppresses the energetical stability of CDW phase. This abnormal effect could be understood from the emergence of a new one-dimensional atomic chain along $c$ axis in $\alpha$-U. Furthermore, this effect is supported by the calculations of Fermi surface and phonon mode, in which the topological objects and the dynamical instability show opposite behaviors between strains along $a$/$b$ and $c$ axes.

关键词: uranium, charge density wave, strain effect, density-functional theory

Abstract: The effect of strain on charge density wave (CDW) order in $\alpha$-U is investigated within the framework of relativistic density-functional theory. The energetical stability of $\alpha$-U with CDW distortion is enhanced by the tensile strain along $a$ and $b$ axes, which is similar to the case of negative pressure and normal. However, the tensile strain along $c$ axis suppresses the energetical stability of CDW phase. This abnormal effect could be understood from the emergence of a new one-dimensional atomic chain along $c$ axis in $\alpha$-U. Furthermore, this effect is supported by the calculations of Fermi surface and phonon mode, in which the topological objects and the dynamical instability show opposite behaviors between strains along $a$/$b$ and $c$ axes.

Key words: uranium, charge density wave, strain effect, density-functional theory

中图分类号: (Charge-density-wave systems)

71.45.Lr

Liuhua Xie(谢刘桦), Hongkuan Yuan(袁宏宽), and Ruizhi Qiu(邱睿智). Effect of strain on charge density wave order in α-U[J]. 中国物理B, 2022, 31(6): 67103-067103.

Liuhua Xie(谢刘桦), Hongkuan Yuan(袁宏宽), and Ruizhi Qiu(邱睿智). Effect of strain on charge density wave order in α-U[J]. Chin. Phys. B, 2022, 31(6): 67103-067103.

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Effect of strain on charge density wave order in α-U

Effect of strain on charge density wave order in α-U

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