Abstract

The effect of strain on charge density wave (CDW) order in αα-U is investigated within the framework of relativistic density-functional theory. The energetical stability of αα-U with CDW distortion is enhanced by the tensile strain along aa and bb directions, which is similar to the case of negative pressure and normal. However, the tensile strain along cc direction suppresses the energetical stability of CDW phase. This abnormal effect could be understood from the emergence of a new one-dimensional atomic chain along cc direction in αα-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 behavior between strain along aa/bb and cc directions.

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