T${}_d$ to 1T${}^{\prime }$ structural phase transition in WTe${}_2$ Weyl semimetal

Abstract

Elastic neutron scattering on a single crystal and powder X-ray diffraction measurements were carried out to investigate how the crystal structure evolves as a function of temperature in the Weyl semimetal WTe${}_2$. A sharp transition from the low-temperature orthorhombic phase (T${}_d$) to the high-temperature monoclinic phase (1T${}^{\prime }$) was observed at ambient pressure in the single crystal near $\sim$565 K. Unlike in MoTe${}_2$, the solid-solid transition from T${}_d$ to 1T${}^{\prime }$ occurs without the cell doubling of the intermediate T${}_d^{\ast }$ phase with AABB (or ABBA) layer stacking. In powders however, the thermal transition from the T${}_d$ to the 1T${}^{\prime }$ phase is broadened and a two phase coexistence was observed until 700K, well above the structural transition.

arXiv comment6 pages, 3 figures

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• Large change of interlayer vibrational coupling with stacking in Mo${}_{1-x}$W${}_x$Te${}_2$
• `Interaction annealing' to determine effective quantized valence and orbital structure: an illustration with ferro-orbital order in WTe${}_2$