arXivDaily arXiv每日学术速递 周一至周五更新
arXiv周末暂无论文更新,休息一下吧,周末愉快~~
arXiv 0909.2029cond-mat.str-elcond-mat.mtrl-sci
收藏

二维海森堡反铁磁体VOCl:多轨道莫特绝缘体的电子结构

Electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl: a multi-orbital Mott insulator

S. Glawion, M. R. Scholz, Y. -Z. Zhang, R. Valenti, T. Saha-Dasgupta, M. Klemm, J. Hemberger, S. Horn, M. Sing, R. Claessen

摘要:

利用光电子能谱和包含局域库仑排斥的密度泛函理论研究了二维Heisenberg反铁磁体VOCl的电子结构。从计算的交换积分和观察到的能量分散,我们认为,一维的磁性和电子性质的程度显着降低相比,同构化合物TiOCl和TiOBr。此外,我们的分析提供了确凿的理由,VOCl分类为多轨道莫特绝缘体。与钛基化合物相比,密度泛函理论能更好地描述其电子结构。然而,低能量的功能和详细的线条形状的定量帐户需要进一步的调查,包括动力学和空间相关性。

英文摘要:

We have studied the electronic structure of the two-dimensional Heisenberg antiferromagnet VOCl using photoemission spectroscopy and density functional theory including local Coulomb repulsion. From calculated exchange integrals and the observed energy dispersions we argue that the degree of one-dimensionality regarding both the magnetic and electronic properties is noticeably reduced compared to the isostructural compounds TiOCl and TiOBr. Also, our analysis provides conclusive justification to classify VOCl as a multi-orbital Mott insulator. In contrast to the titanium based compounds density functional theory here gives a better description of the electronic structure. However, a quantitative account of the low-energy features and detailed line shapes calls for further investigations including dynamical and spatial correlations.

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。

↑