Effect of strain on charge density wave order in α-U |
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Institution: | 1.School of Physical Science and Technology, Southwest University, Chongqing 400715, China;2.Institute of Materials, China Academy of Engineering Physics, Mianyang 621907, China |
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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. |
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Keywords: | uranium charge density wave strain effect density-functional theory |
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