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arXiv 1702.05461cond-mat.mes-hall
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基于第一性原理的单层和三层MoTe $_2$共振拉曼光谱中的量子干涉效应

Quantum interference effects in resonant Raman spectroscopy of single- and triple-layer MoTe$_2$ from first principles

Henrique P. C. Miranda, Sven Reichardt, Guillaume Froehlicher, Alejandro Molina-Sánchez, Stéphane Berciaud, Ludger Wirtz

摘要:

本文对单层和三层MoTe $_2$的共振拉曼光谱进行了实验和理论研究。拉曼强度计算完全从第一原理通过计算有限差分的介电磁化率。在我们的分析中,我们研究了量子干涉效应和电子-声子耦合的作用。用这种方法,我们解释了实验观察到的强度反转的$A^\prime_1$振动模式在三层MoTe 2随着激光光子能量的增加。最后,我们表明,与实验数据的定量比较需要适当的激子效应。

英文摘要:

We present a combined experimental and theoretical study of resonant Raman spectroscopy in single- and triple-layer MoTe$_2$. Raman intensities are computed entirely from first principles by calculating finite differences of the dielectric susceptibility. In our analysis, we investigate the role of quantum interference effects and the electron-phonon coupling. With this method, we explain the experimentally observed intensity inversion of the $A^\prime_1$ vibrational modes in triple-layer MoTe2 with increasing laser photon energy. Finally, we show that a quantitative comparison with experimental data requires the proper inclusion of excitonic effects.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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