Distance effect on magnetic coupling of Cr doped Bi2Se3: A first-principle and Monte Carlo study

National Conference on Theory of Magnetism

Wu, Deyao^1 ; Liu, Jingyao^1 ; Lian, Ruqian^1 ; Xu, Guigui^1 ; Zhong, Kehua^1 ; Zhang, Jian-Min^1 ; Huang, Zhigao^1

Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University, Fuzhou

350117, China^1

关键词: Cr atoms;    Distance effects;    First principles;    First principles method;    Inner layer;    Magnetic atoms;    Magnetic system;    Topological insulators;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/827/1/012007/pdf
DOI  :  10.1088/1742-6596/827/1/012007

来源: IOP

【 摘 要 】

In this paper, we investigated the magnetic properties of Cr doped Bi2Se3combining Monte Carlo simulation with first principles method. Our results demonstrate that Cr atoms can be stably doped into Bi2Se3. Hysteresis loops were observed in the Cr doped system. The exchange interaction energies of magnetic atoms are calculated at the level of meV. The distance effect is studied with Cr atoms doped in different sites. The magnetic coupling of the atoms inner layer has great impact on magnetic materials, while the interlayer case has an obvious impact on coercivity of the material. However, as the distance of magnetic atoms exceed the quintuple layers (QLs), the magnetic coupling makes hardly contribution to the magnetic system. Our results may further promote the understanding of magnetic coupling in magnetic topological insulator.