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Evolution of the Structural Transition in Mo1-xWxTe2



John A. Schneeloch, Yu Tao, Chunruo Duan, Masaaki Matsuda, Adam A. Aczel, Jaime A. Fernandez-Baca, Guangyong Xu, Jorg C. Neuefeind, Junjie Yang, Despina Louca


The composition dependence of the structural transition between the monoclinic 1T′ and orthorhombic Td phases in the Mo1-xWxTe2 Weyl semimetal was investigated by elastic neutron scattering on single crystals up to x ≅ 0:54. First observed in MoTe2, the transition from Td to 1T′ is accompanied by an intermediate pseudo-orthorhombic phase, Td. Upon doping with W the Td phase vanishes by x ≅ 0:34. Above this concentration, a phase coexistence behavior with both Td and 1T′ is observed, instead. The interlayer in-plane positioning parameter, δ, which relates to the 1T′ β angle, decreases with temperature as well as with W substitution indicating strong anharmonicity of the layer displacements. The temperature width of the phase coexistence remains almost constant up to x ≅ 0:54, in contrast to the broadening reported with applying pressure.
Physical Review B


Weyl Semimetal, neutron scattering, pressure


Schneeloch, J. , Tao, Y. , Duan, C. , Matsuda, M. , Aczel, A. , Fernandez-Baca, J. , Xu, G. , Neuefeind, J. , Yang, J. and Louca, D. (2020), Evolution of the Structural Transition in Mo<sub>1-x</sub>W<sub>x</sub>Te<sub>2</sub>, Physical Review B, [online], (Accessed April 14, 2024)
Created August 24, 2020, Updated July 27, 2022