Lu Xin, Zhou Pan, Chen Shuhui, Sun Lizhong
School of Material Sciences and Engineering, Xiangtan University, Xiangtan 411105, People's Republic of China.
Hunan Provincial Key Laboratory of Thin Film Materials and Devices, School of Materials Science and Engineering, Xiangtan University, Xiangtan 411105, People's Republic of China.
J Phys Condens Matter. 2022 Oct 12;34(47). doi: 10.1088/1361-648X/ac965b.
Because of their unique structure and novel physical properties, two-dimensional (2D) transition metal dichalcogenides (TMDs) have received a lot of attention in recent years. In this paper, we propose a new 2D TMD 1T'-RuOwith tunable topological properties. Based on first-principles calculations, we demonstrate that it has good dynamics, thermodynamic, energetic stability, and anisotropic mechanical properties. Although 1T'-RuOis a typical semiconductor with a direct bandgap, it can be transformed into topological insulator by applying uniaxial tensile strains. The topological phase transition is attributed to the-band inversion at Γ point. The nontrivial topological property is further validated by the topological edge states. We predict that monolayer 1T'-RuOis an excellent material for future electronic devices with tunable topological properties.
由于其独特的结构和新颖的物理性质,二维(2D)过渡金属二硫属化物(TMDs)近年来受到了广泛关注。在本文中,我们提出了一种具有可调拓扑性质的新型二维TMD 1T'-RuO。基于第一性原理计算,我们证明它具有良好的动力学、热力学、能量稳定性和各向异性力学性能。虽然1T'-RuO是具有直接带隙的典型半导体,但通过施加单轴拉伸应变,它可以转变为拓扑绝缘体。拓扑相变归因于Γ点处的能带反转。非平凡的拓扑性质通过拓扑边缘态进一步得到验证。我们预测单层1T'-RuO是未来具有可调拓扑性质的电子器件的优异材料。