Importance of Coulomb correlation on the quantum anomalous Hall effect in V-doped topological insulators

Article

关键词: AUGMENTED-WAVE METHOD;    REALIZATION;    STATE;   

DOI  :  10.1103/PhysRevB.97.125118

来源: SCIE

【 摘 要 】

The presence of the quantum anomalous Hall effect in a V-doped topological insulator (TI) has not yet been understood from band-structure studies. Here, we demonstrate the importance of including the correlation effect in density-functional-theory (DFT) calculations, in the format as simple as the Hubbard U, for the determination of the topological properties of these materials. Our results show that the correlation effect turns a V-doped TI thin film into a Mott insulator and facilitates it entering the quantum anomalous Hall phase. Even the ferromagnetic ordering is also strongly affected by the inclusion of the U term. This work satisfactorily explains recent experimental observations and highlights the essentialness of having the Coulomb correlation effect in DFT studies of magnetic TIs.

【 授权许可】

Free