Prediction of Extraordinary Magnetoresistance in Janus Monolayer MoTeB2

TL;DR

This study uses first-principles calculations to explore the properties of Janus MoTeB2 monolayer, revealing its potential for extraordinary magnetoresistance due to tunable electronic structure and carrier polarity.

Contribution

It provides a detailed analysis of the geometric, electronic, and stability properties of Janus MoTeB2, highlighting its controllable electronic features and magnetoresistance potential.

Findings

MoTeB2 is a semimetal with perfect electron-hole compensation.

External strain and doping can switch carrier polarity.

MoTeB2 exhibits extraordinary large magnetoresistance.

Abstract

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.