论文标题
揭示堆叠顺序和层间磁性的基本机制
Revealing the Underlying Mechanisms of Stacking Order and Interlayer Magnetism in Bilayer CrBr$_3$
论文作者
论文摘要
为了阐明管理层间磁耦合的机制，我们已经研究了双层CRBR $ _3 $的堆叠能量和层间磁性。建立了带有不同R型和H型堆叠订单的双层CRBR $ _3 $的磁接地状态，发现这与最近的实验非常吻合（Science $ \ Mathbf {366} $，983（2019））。进一步分析表明，堆叠能量是由堆叠能量 - 由COULOMB互动确定 - 与Interbor Interneighthe Interneighthe Interneighther-necterightighs Interneighthe Interney。尽管涉及$ t_ {2g} $ - $ t_ {2g} $和$ t_ {2g} $ - $ e_g $ yg $ orbitals和$ e_g $ e_g $ e_g $ e_g $ orbitals的$ t_ {2g} $ - $ t_ {2g} $之间的超级交换交互之间的竞争可以理解。我们的研究对双层CRBR $ _3 $的堆叠顺序和层间磁性有了深刻的了解，这对于理解其他分层磁体的量子限制效应应该很有用。
Aiming to clarify the mechanisms governing the interlayer magnetic coupling, we have investigated the stacking energy and interlayer magnetism of bilayer CrBr$_3$ systemically. The magnetic ground states of bilayer CrBr$_3$ with different R-type and H-type stacking orders are established, which is found to be in good agreement with recent experiment (Science $\mathbf{366}$,983(2019)).Further analyses indicate that the stacking energy is mainly determined by the Coulomb interaction between the interlayer nearest-neighbor Br-Br atoms. While interlayer magnetism can be understood by a competition between super-super-exchange interactions involving $t_{2g}$-$t_{2g}$ and $t_{2g}$-$e_g$ orbitals and semi-covalent exchange interactions of $e_g$-$e_g$ orbitals. Our studies give an insightful understanding for stacking order and interlayer magnetism of bilayer CrBr$_3$, which should be useful to understand quantum confinement effect of other layered magnets in two-dimensional limit.
