论文标题
铁磁CRI3单层的动力平均场理论研究
Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer
论文作者
论文摘要
我们已经采用了众所周知的多体技术之一，即密度功能理论以及动态均值场理论（DFT + DMFT），以研究铁电磁单层CRI3的电子结构作为温度和掺杂浓度的函数。计算出的磁敏感性遵循了居里的定律，表明单层CRI3的铁磁性起源于Cr原子的局部磁矩，而不是stoner型巡回策略。 DFT + DMFT计算显示每个自旋成分的连贯温度不同，显示单层CRI3中明显的强旋转依赖性电子相关效应。此外，我们探索了单层CRI3的掺杂依赖性电子结构，发现其电子和磁性特性很容易通过孔掺杂来调节。
We have employed one of the well-known many-body techniques, density functional theory plus dynamical mean-field theory (DFT + DMFT), to investigate the electronic structure of ferromagnetic monolayer CrI3 as a function of temperature and hole-doping concentration. The computed magnetic susceptibility follows the Curie's law, indicating that the ferromagnetism of monolayer CrI3 originates from localized magnetic moments of Cr atoms rather than Stoner-type itinerant ones. The DFT + DMFT calculations show a different coherent temperature for each spin component, demonstrating apparent strong spin-dependent electronic correlation effects in monolayer CrI3. Furthermore, we have explored the doping-dependent electronic structure of monolayer CrI3 and found that its electronic and magnetic properties are easily tunable by the hole-doping.
