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arXiv 1708.05923cond-mat.str-el
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${t_{2g}}^{2}$体系的自旋轨道态在光导中的特征:PDMATHAAB VO $_{3}$($R$ =Y和La)的情况

Signatures of spin-orbital states of ${t_{2g}}^{2}$ system in the optical conductivity : The case of $R$VO$_{3}$ ($R$=Y and La)

Minjae Kim

摘要:

利用密度泛函理论和动力学平均场论(DFT+DMFT)研究了$R$ VO $_{3}$($R$ =Y和La)的自旋和轨道态在光导中的特征.从多重态到光学跃迁的分配,DFT+DMFT再现了YVO $_{3}$和LaVO $_{3}$的光学电导率随温度的变化。我们还表明,光学电导率是一个有用的量来探测的轨道状态的演变,即使在没有自旋顺序。这一结果为研究${t_{2g}}^{2}$钒酸盐体系的自旋和轨道态提供了参考,这对于自旋和轨道态的基础物理以及钒酸盐的应用都是一个重要的问题。

英文摘要:

We investigate signatures of spin and orbital states of $R$VO$_{3}$ ($R$=Y and La) in the optical conductivity using density functional theory plus dynamical mean-field theory (DFT+DMFT). From the assignment of multiplet states to optical transitions, DFT+DMFT reproduces experimental temperature dependent evolutions of optical conductivity for both YVO$_{3}$ and LaVO$_{3}$. We also show that the optical conductivity is a useful quantity to probe the evolution of the orbital state even in the absence of spin order. The result provides a reference to investigate spin and orbital states of ${t_{2g}}^{2}$ vanadate systems which is an important issue for both fundamental physics on spin and orbital states and applications of vanadates by means of orbital state control.

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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