Origin of the Anomalous Electrical Transport Behavior in Fe-Intercalated Weyl Semimetal Td-MoTe2,Advanced Materials

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Origin of the Anomalous Electrical Transport Behavior in Fe-Intercalated Weyl Semimetal Td-MoTe2
Advanced Materials ( IF 27.4 ) Pub Date : 2023-01-24 , DOI: 10.1002/adma.202208800
Tianyang Wang _{1,

2} , Xuan Luo ₁ , Jingjing Gao _{1,

2} , Zhongzhu Jiang _{1,

2} , Wei Wang _{1,

2} , Xingcai Yang _{1,

2} , Nan Zhou ₁ , Xiaoguang Zhu ₁ , Lei Zhang ₃ , Wenjian Lu ₁ , Wenhai Song ₁ , Hongyan Lv ₄ , Yuping Sun _{1,

3,

5}

Affiliation

Weyl semimetal T_d-MoTe₂ has recently attracted much attention due to its intriguing electronic properties and potential applications in spintronics. Here, Fe-intercalated T_d-Fe_xMoTe₂ single crystals (0 < x < 0.15 ) are grown successfully. The electrical and thermoelectric transport results consistently demonstrate that the phase transition temperature T_S is gradually suppressed with increasing x. Theoretical calculation suggests that the increased energy of the T_d phase, enhanced transition barrier, and more occupied bands in 1T′ phase is responsible for the suppression in T_S. In addition, a ρ^α–lnT behavior induced by Kondo effect is observed with x ≥ 0.08, due to the coupling between conduction carriers and the local magnetic moments of intercalated Fe atoms. For T_d-Fe_0.15MoTe₂, a spin-glass transition occurs at ≈10 K. The calculated band structure of T_d-Fe_0.25MoTe₂ shows that two flat bands exist near the Fermi level, which are mainly contributed by the d_yz and

d_{x^{2} - y^{2}} ${{\rm{d}}_{{x^2} - {y^2}}}$

orbitals of the Fe atoms. Finally, the electronic phase diagram of T_d-Fe_xMoTe₂ is established for the first time. This work provides a new route to control the structural instability and explore exotic electronic states for transition-metal dichalcogenides.

中文翻译：

Fe 插层外尔半金属 Td-MoTe2 异常电传输行为的起源

Weyl 半金属 Td _-MoTe 2_由于其有趣的电子特性和在自旋电子学中的潜在应用，最近引起了广泛关注。此处，Fe 插层 T _d -Fe _x MoTe ₂单晶 (0 < x < 0.15 ) 成功生长。电和热电传输结果一致表明，相变温度T _S随着x的增加而逐渐受到抑制。理论计算表明，T _d相的能量增加、跃迁势垒增强和 1T′ 相中更多的占据带是导致T抑制的原因_年代。此外，由于传导载流子与嵌入铁原子的局部磁矩之间的耦合，在x ≥ 0.08时观察到近藤效应引起的ρ ^α –ln T行为。对于T _d -Fe _0.15 MoTe ₂，自旋玻璃化转变发生在≈10 K。计算的T _d -Fe _0.25 MoTe ₂的能带结构表明在费米能级附近存在两个平带，这主要由d贡献_和_