Physico‒mechanical Properties and Carrier Mobility of HfS2 Monolayer
摘要
Our research focuses on determining the physico-mechanical properties and carrier mobility of HfS2 monolayer using first-principles calculations. The results obtained indicate that HfS2 monolayer possesses a highly stable structure based on both dynamical and mechanical criteria. The relatively small Young’s modulus suggests that this structure exhibits flexible mechanical properties. Furthermore, the calculated energy band structures confirm that HfS2 monolayer is a semiconductor material. Additionally, the electron mobility of HfS2 is found to be flexible, with a value of µe ~ 1580 cm2V−1s−1. This study provides valuable information for the potential application of HfS2 monolayer in advanced technologies in the near future.