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Quantum anomalous Hall effect in a stable 1T-YN2 monolayer with a large nontrivial bandgap and a high Chern number†
Nanoscale ( IF 5.8 ) Pub Date : 2018-03-28 00:00:00 , DOI: 10.1039/c8nr00571k Xiangru Kong 1, 2, 3, 4, 5 , Linyang Li 6, 7, 8, 9 , Ortwin Leenaerts 6, 7, 8, 9 , Weiyang Wang 6, 7, 8, 9, 10 , Xiong-Jun Liu 1, 2, 3, 4, 5 , François M. Peeters 6, 7, 8, 9
Nanoscale ( IF 5.8 ) Pub Date : 2018-03-28 00:00:00 , DOI: 10.1039/c8nr00571k Xiangru Kong 1, 2, 3, 4, 5 , Linyang Li 6, 7, 8, 9 , Ortwin Leenaerts 6, 7, 8, 9 , Weiyang Wang 6, 7, 8, 9, 10 , Xiong-Jun Liu 1, 2, 3, 4, 5 , François M. Peeters 6, 7, 8, 9
Affiliation
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The quantum anomalous Hall (QAH) effect is a topologically nontrivial phase, characterized by a non-zero Chern number defined in the bulk and chiral edge states in the boundary. Using first-principles calculations, we demonstrate the presence of the QAH effect in a 1T-YN2 monolayer, which was recently predicted to be a Dirac half metal without spin–orbit coupling (SOC). We show that the inclusion of SOC opens up a large nontrivial bandgap of nearly 0.1 eV in the electronic band structure. This results in the nontrivial bulk topology, which is confirmed by the calculation of Berry curvature, anomalous Hall conductance and the presence of chiral edge states. Remarkably, a QAH phase of high Chern number C = 3 is found, and there are three corresponding gapless chiral edge states emerging inside the bulk gap. Different substrates are also chosen to study the possible experimental realization of the 1T-YN2 monolayer, while retaining its nontrivial topological properties. Our results open a new avenue in searching for QAH insulators with high temperature and high Chern numbers, which can have nontrivial practical applications.
中文翻译：
在稳定的1T-YN 2单层中具有大的平凡带隙和高Chern数的量子异常霍尔效应†
量子异常霍尔（QAH）效应是拓扑上无关紧要的阶段，其特征在于边界中的本体和手性边缘状态中定义的非零Chern数。使用第一性原理计算，我们证明了在1T-YN 2单层中存在QAH效应，该层最近被预测为无自旋轨道耦合（SOC）的狄拉克半金属。我们表明，SOC的加入在电子能带结构中打开了近0.1 eV的大的非平凡带隙。这导致了非平凡的本体拓扑，这可以通过计算Berry曲率，异常霍尔电导和手性边缘态的存在得到证实。值得注意的是，陈氏C值较高的QAH阶段＝ 3，发现在本体间隙内出现了三个相应的无间隙手性边缘态。还选择了不同的底物来研究1T-YN 2单层的可能的实验实现，同时保留其非平凡的拓扑特性。我们的结果为寻找具有高温和高Chern值的QAH绝缘子开辟了一条新途径，该绝缘子可能具有重要的实际应用。
更新日期：2018-03-28
中文翻译：
在稳定的1T-YN 2单层中具有大的平凡带隙和高Chern数的量子异常霍尔效应†
量子异常霍尔（QAH）效应是拓扑上无关紧要的阶段，其特征在于边界中的本体和手性边缘状态中定义的非零Chern数。使用第一性原理计算，我们证明了在1T-YN 2单层中存在QAH效应，该层最近被预测为无自旋轨道耦合（SOC）的狄拉克半金属。我们表明，SOC的加入在电子能带结构中打开了近0.1 eV的大的非平凡带隙。这导致了非平凡的本体拓扑，这可以通过计算Berry曲率，异常霍尔电导和手性边缘态的存在得到证实。值得注意的是，陈氏C值较高的QAH阶段＝ 3，发现在本体间隙内出现了三个相应的无间隙手性边缘态。还选择了不同的底物来研究1T-YN 2单层的可能的实验实现，同时保留其非平凡的拓扑特性。我们的结果为寻找具有高温和高Chern值的QAH绝缘子开辟了一条新途径，该绝缘子可能具有重要的实际应用。
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