Direct insight into the band structure of SrNbO3
Direct insight into the band structure of SrNbO3
复制标题
DOI：
10.1103/physrevmaterials.4.025006
复制
发表时间：
2020-02-27
影响因子：
3.4
通讯作者：
Borgatti, Francesco
中科院分区：
文献类型：
--
作者：
Bigi, Chiara;Orgiani, Pasquale;Borgatti, Francesco
本文报道了脉冲激光沉积（PLD）制备高质量外延SrNbO3薄膜的光子能量和偏振依赖角分辨光谱学（ARPES）研究结果。我们发现费米表面主要由Nb 4d的t（2g）轨道组成，类似于三维钙钛矿系统。密度泛函理论（DFT）得到的导电态和价态的体带色散与ARPES数据基本一致。在接近费米能级的带宽上的小差异似乎是由相关效应和空位的相互作用造成的。ARPES结果由软x射线光发射光谱测量补充，以提供关于材料的化学状态和化学计量的指示。
We present the results of a photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES) study on high quality, epitaxial SrNbO3 thin films prepared in situ by pulsed laser deposition (PLD). We show that the Fermi surface is composed of three bands mainly due to t(2g) orbitals of Nb 4d, in analogy with the 3d-based perovskite systems. The bulk band dispersion for the conduction and valence states obtained by density functional theory (DFT) is generally consistent with the ARPES data. The small discrepancy in the bandwidth close to the Fermi level seems to result from the interplay of correlation effects and the presence of vacancies. The ARPES results are complemented by soft x-ray photoemission spectroscopy measurements in order to provide indications on the chemical states and the stoichiometry of the material.