| Title | Dynamical correlation enhanced orbital magnetization in VI3 |
| Authors | Zhou, Zhimou Pandey, Shishir Kumar Feng, Ji |
| Affiliation | Peking Univ, Int Ctr Quantum Mat, Sch Phys, Beijing 100871, Peoples R China Collaborat Innovat Ctr Quantum Matter, Beijing 100871, Peoples R China |
| Issue Date | 22-Jan-2021 |
| Publisher | PHYSICAL REVIEW B |
| Abstract | 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 VI3 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 VI3, in dynamical mean-field approach the orbital magnetization is greatly enhanced. Further analysis shows 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 VI3. The conclusion drawn in our paper could be applicable to a wide range of layered materials in this class. |
| URI | http://hdl.handle.net/20.500.11897/604315 |
| ISSN | 2469-9950 |
| DOI | 10.1103/PhysRevB.103.035137 |
| Indexed | EI SCI(E) |
| Appears in Collections: | 量子材料科学中心 |
