论文标题
在扭曲的H-BN中枚举六角形扭曲双层和插入过渡金属的枚举
Enumeration of Moire Patterns of a Hexagonal Twisted Bilayer and Intercalated Transition Metals in Twisted h-BN
论文作者
论文摘要
使用生成整数的真实空间方法用于对两个相等的六边形晶格的可能的Moire模式进行分类。结果是，将（n，m）旋转到（m，n）具有n，m相对较好的形式的基本摩尔变换，每个超级电池内的晶格重合区域的数量由（n-m）^2给出。该方案可以扩展到晶格常数不同的情况。此外，我们考虑了H-BN扭曲双层层层之间具有过渡金属的系统。我们发现，这种排列的最低能量构型是在摩尔图案的对齐和反将的位点，具体取决于过渡金属，而低对称位点具有很高的磁化。
A real-space method using generating integers is used to classify the possible moire patterns for two equal hexagonal lattices. The result is that the rotations that take (n,m) to (m,n) with n,m relatively prime form the fundamental moire transformations, and the number of lattice coincidence areas within each supercell is given by (n-m)^2. The scheme may be extended to cases where the lattice constants differ. Additionally, we consider a system with a transition metal between the layers of a twisted bilayer of h-BN. We find that the lowest energy configurations for such an arrangement are those at aligned and anti-aligned sites of the moire pattern, depending on the transition metal, and the low-symmetry sites possess high magnetization.
