Related Experiment Video
Updated: Jan 26, 2026

Sample Preparation using a Lipid Monolayer Method for Electron Crystallographic Studies
Published on: November 20, 2021
Correlation effect on the electronic properties of pair-checkerboard AFM monolayer FeSe: a first-principles study
Jun Yu1, Lijun Meng1, Jiafang Wu1
1Hunan Key Laboratory for Micro-Nano Energy Materials and Devices, School of Physics and Optoelectronics, Xiangtan University, Xiangtan 411105, Hunan, People's Republic of China.
Abstract:
We presented a study of the influence of on-site Coulomb correlation U and Hund coupling J on the electronic properties of monolayer FeSe in a pair-checkerboard antiferromagnetic (PAFM) state based on Hubbard-corrected density functional theory (DFT + U). The results demonstrated the Hubbard-U have a strong influence on the electronic bands and lattice structure of monolayer FeSe in PAFM state. The in-plane lattice constant changes under U > 1.85 eV has been identified under full structure optimization. Furthermore, the Hund coupling J has significant influence on the electronic bands and exhibits a remarkable orbital selective behavior at U = 0. Additionally, our results also demonstrated the Hund coupling J has a weaker effect on electronic properties of FeSe when U gets larger. These results are useful for elucidating the possible role of correlation strength on the electronics band and magnetic ground state of monolayer FeSe.
Related Concept Videos
The Uncertainty Principle
The Pauli Exclusion Principle
The Aufbau Principle and Hund's Rule
VSEPR Theory and the Effect of Lone Pairs
Properties of Transition Metals
Correlations

