论文标题
在$ \ pmb x \ bf {n_4} $中实现Kane-Mele模型 - 嵌入式石墨烯（$ \ pmb x $ = pt，ir，rh，os）
Realization of Kane-Mele Model in $\pmb X\bf{N_4}$-Embedded Graphene ($\pmb X$=Pt, Ir, Rh, Os)
论文作者
论文摘要
嵌入过渡金属氮化物（即$ x $ n $ _4 $）的单层石墨烯最近已在实验中合成，在那里，过渡金属原子以及四个氮原子作为一个单位嵌入了石墨烯中以形成稳定的平面单块thicm-thicm-thicm-thicm-thick thick结构。我们通过利用第一原理计算和紧密结合模型来提供有关这些$ x $ n $ _4 $ _4 $ _4 $ abedded石墨烯的结构，电子和拓扑特性的系统研究。我们发现$ x $ n $ _4 $ - embedded石墨烯（$ x $ = pt，ir，rh，os）可以打开拓扑上的非平凡带差距，该差距\ emph {二维} $ \ mathbb {z} _2 _2 _2 _2 _2 _2 $拓扑绝缘剂。我们进一步表明，经过修改的Kane-Mele模型汉密尔顿人可以完美地捕获乐队间隙附近的低能带。我们的工作不仅提供了具体的二维材料，这些材料非常罕见，无法实现\ emph {二维} $ \ Mathbb {z} _2 $拓扑绝缘子，而且还使石墨烯系统在托管Kane-Mele类型$ \ Mathbb {Z} _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 _2 $拓扑中。
Monolayer graphene embedded with transition metal nitride (i.e., $X$N$_4$) has been experimentally synthesized recently, where a transition metal atom together with four nitrogen atoms as a unit are embedded in graphene to form a stable planar single-atom-thick structure. We provide a systematic study on the structural, electronic and topological properties of these $X$N$_4$-embedded graphene by utilizing both first-principles calculations and tight-binding model. We find that $X$N$_4$-embedded graphene ($X$=Pt, Ir, Rh, Os) can open topologically nontrivial band gaps that host \emph{two-dimensional} $\mathbb{Z}_2$ topological insulators. We further show that the low-energy bands near the band gaps can be perfectly captured by a modified Kane-Mele model Hamiltonian. Our work not only provides concrete two-dimensional materials that are very rare to realize \emph{two-dimensional} $\mathbb{Z}_2$ topological insulators, but also makes the graphene system to be realistic in hosting Kane-Mele type $\mathbb{Z}_2$ topological insulators.
