Janus单层MoTeB2的异常磁电阻预测
Prediction of Extraordinary Magnetoresistance in Janus Monolayer MoTeB2
摘要：
基于第一性原理计算，我们研究了二维Janus MoTeB 2的几何构型、稳定性和电子结构. MoTeB_2单层膜是半金属的，其吸引电子结构显示出完美的电子-空穴补偿。此外，MoTeB 2单层膜的电子型和空穴型能带容易通过外加应变和电荷掺杂进行调节，如电荷掺杂实现载流子极性的转换，拉伸应变下的金属-半导体转变等。这些性质使得MoTeB_2单分子膜在磁场中具有非常大的磁电阻效应，是一种可控的二维材料。
英文摘要：
Based on first-principles calculations, we studied the geometric configuration, stability and electronic structure of the two-dimensional Janus MoTeB2. The MoTeB2 monolayer is semimetal, and its attractive electronic structure reveals the perfect electron-hole compensation. Moreover, the electron-type and hole-type bands of the MoTeB2 monolayer are easily adjustable by external stain and charge doping, such as the switch of carrier polarity by charge doping, and the metal-semiconductor transition under tensile stain. These properties allow the MoTeB2 monolayer to be a controllable two-dimensional material with extraordinary large magnetoresistance in magnetic field.
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