Interplay of T$_d$ and 1T ′ Phases Influencing the Transport Properties of Mo$_x$W$_{1–x}$Te$_2$ Weyl Semimetals

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WTe2 and MoTe2 in their orthorhombic (Td) phases have emerged as prominent candidates for type-II Weyl semimetals due to their unique quantum transport phenomena. The distinctive electronic structure leads to unusual electron behavior under a magnetic field, resulting in extreme magnetoresistance (XMR). This study addresses a critical gap in understanding the impact of structural modulation on MR behavior, which has important implications for optimizing materials in quantum devices and spintronics. We successfully synthesized miscible MoxW1–xTe2 (x = 0.1 to 0.5) single crystals and investigated their structural evolution and transport properties. Raman and powder XRD analyses reveal that Mo doping induced a transition from the Td phase to an intermediate monoclinic 1T′ phase. Notably, the x = 0.3 sample exhibits the highest stability toward the Td phase. Transport measurements reveal a significant reduction in MR and residual resistivity ratio (RRR), alongside an increase in electron–hole asymmetry with higher Mo content, attributed to the reduced crystal quality and enhancement of impurity scattering. Enhanced structural stabilization toward the Td phase significantly improves MR and positively influences transport properties. These findings offer new insights into the role of structural tuning in the electronic properties of Weyl semimetals with implications for spintronics and quantum materials research.

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