论文标题
单层2D半导体用于高弹性电子设备
Monolayer 2D semiconducting tellurides for high-mobility electronics
论文作者
论文摘要
具有合适带隙和高载流子迁移率的二维（2D）材料的发现和设计对于光子学，光电和高速电子设备至关重要。在这项工作中，基于使用PBE和HSE功能的密度函数理论（DFT）的第一原理计算，我们引入了一个单层等值半导体Tellurides M2N2TE8的家族，M = {ti，Zr，Zr，hf}和N = {si，ge}。这些化合物已被鉴定为具有从1.0 eV到1.31 eV的直接带隙，非常适合光子学和光电子化应用。此外，观察到各向异性内部传输行为，沿显性运输方向鉴定出小电子和孔（0.11-0.15 Me）的有效质量。预计该2D化合物家族可以预测超高的载流子迁移率，该家族对高速电子设备中的潜在应用具有巨大的希望。对电子结构的详细分析揭示了这种独特的2D牙脲材料类别的有前途特性的起源。
Discovery and design of two-dimensional (2D) materials with suitable band gaps and high carrier mobility is of vital importance for photonics, optoelectronics, and high-speed electronics. In this work, based on first principles calculations using density functional theory (DFT) with PBE and HSE functionals, we introduce a family of monolayer isostructural semiconducting tellurides M2N2Te8, with M = {Ti, Zr, Hf} and N= {Si, Ge}. These compounds have been identified to possess direct band gaps from 1.0 eV to 1.31 eV, which are well suited for photonics and optoelectronics applications. Additionally, anisotropic in-plane transport behavior is observed and small electron and hole (0.11 - 0.15 me) effective masses are identified along the dominant transport direction. Ultra-high carrier mobility is predicted for this family of 2D compounds which host great promise for potential applications in high-speed electronic devices. Detailed analysis of electronic structures reveals the origins of the promising properties of this unique class of 2D telluride materials.
