Surface band characters of the Weyl semimetal candidate material MoTe2 revealed by one-step angle-resolved photoemission theory
Surface band characters of the Weyl semimetal candidate material MoTe2 revealed by one-step angle-resolved photoemission theory
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DOI：
10.1103/physrevb.103.125139
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发表时间：
2021-03
影响因子：
3.7
通讯作者：
Ryota Ono;A. Marmodoro;J. Schusser;Yoshitaka Nakata;E. Schwier;J. Braun;H. Ebert;J. Minár;K. Sakamoto;P. Krüger
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文献类型：
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作者：
Ryota Ono;A. Marmodoro;J. Schusser;Yoshitaka Nakata;E. Schwier;J. Braun;H. Ebert;J. Minár;K. Sakamoto;P. Krüger
层状二维材料在晶体相是一种半金属，它在理论上被预测具有对应于Weyl费米子的拓扑非平凡带。明确的实验证据，角度分辨光电子能谱（ARPES），但是，缺乏，这需要仔细检查基态能带结构计算和ARPES强度图之间的关系。在这里，我们报告的近费米能带结构的研究通过ARPES测量，密度泛函理论，和一步模型ARPES计算。理论与实验结果吻合较好。我们分析了表面能带的轨道特性及其与ARPES偏振依赖性的关系。我们发现，光的偏振有一个主要的影响，哪些频带可以观察到的ARPES。对于非偏振光，ARPES强度主要由亚表面Moorbitals决定，而非偏振光揭示了主要来自Teorbitals的带。合适的光偏振观察电子或空穴袋确定。
The layered two-dimensional materialin thecrystal phase is a semimetal which has theoretically been predicted to possess topologically nontrivial bands corresponding to Weyl fermions. Clear experimental evidence by angle-resolved photoemission spectroscopy (ARPES) is, however, lacking, which calls for a careful examination of the relation between ground state band structure calculations and ARPES intensity plots. Here we report a study of the near-Fermi-energy band structure ofby means of ARPES measurements, density functional theory, and one-step-model ARPES calculations. Good agreement between theory and experiment is obtained. We analyze the orbital character of the surface bands and its relation to the ARPES polarization dependence. We find that light polarization has a major effect on which bands can be observed by ARPES. For-polarized light, the ARPES intensity is dominated by subsurface Moorbitals, while-polarized light reveals the bands mainly derived from Teorbitals. Suitable light polarization for observing either an electron or hole pocket are determined.