What Can ABACUS Do Too? | Helping to Understand the Layer-Dependence of Magnetic Anisotropy in 2D Magnetic Materials
Recently, Associate Professor Hu Zhixin from Tianjin University collaborated with the research groups of Professor Ji Wei and Associate Researcher Wang Cong from Renmin University of China. Based on first-principles calculations and using both VASP and the domestic first-principles software ABACUS, they revealed the microscopic mechanisms of the changes in the easy magnetization axis and topological properties with the number of layers in MnSe₂. The relevant research results were published in the journal Physical Review B under the title "Interlayer coupling driven rotation of the magnetic easy axis in MnSe₂ monolayers and bilayers" (DOI: 10.1103/PhysRevB.111.054422). The first authors of the paper are Zhang Zhongqin and Wang Cong.