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
Abstract The effect of strain on charge density wave (CDW) order in -U is investigated within the framework of relativistic density-functional theory. The energetical stability of -U with CDW distortion is enhanced by the tensile strain along and axes, which is similar to the case of negative pressure and normal. However, the tensile strain along 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 axis in -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 / and axes.
Received: 12 November 2021
Revised: 18 January 2022
Accepted manuscript online: 27 January 2022
PACS:
71.45.Lr
(Charge-density-wave systems)
Fund: 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).
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 2022 Chin. Phys. B 31 067103
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