论文标题
动力相关增强vi $ _ {3} $中的轨道磁化
Dynamical correlation enhanced orbital magnetization in VI$_{3}$
论文作者
论文摘要
电子相关性对真实材料中轨道磁化的影响尚未超过平均场水平。基于动态平均场理论，已经研究了电子相关性对分层铁磁体VI $ _3 $中轨道磁化的影响。在这种情况下，与从密度功能理论计算得出的结果进行了比较，在这种情况下确定了动力相关性的关键作用。与密度功能理论相反，该密度功能理论导致VI $ _3 $中可忽略不计的轨道磁化，在动态平均场方法中，轨道磁化强大增强。进一步的分析表明，这种增强主要是由于电子的局部流通量增强，这可以归因于对VI $ _3 $中相关电子的本地化行为的更好描述。在我们的研究中得出的结论可能适用于此类的各种分层材料。
The effect of electronic correlations on the orbital magnetization in real materials has not been explored beyond a static mean-field level. Based on the dynamical mean-field theory, the effect of electronic correlations on the orbital magnetization in layered ferromagnet VI$_3$ has been studied. A comparison drawn with the results obtained from density functional theory calculations robustly establishes the crucial role of dynamical correlations in this case. In contrast to the density functional theory that leads to negligible orbital magnetization in VI$_3$, in dynamical mean-field approach the orbital magnetization is greatly enhanced. Further analysis show that this enhancement is mainly due to the enhanced local circulations of electrons, which can be attributed to a better description of the localization behavior of correlated electrons in VI$_3$. The conclusion drawn in our study could be applicable to a wide range of layered materials in this class.
