Unravelling the regulating role of strain engineering on the phonon dispersion, mechanical behavior, and electronic transport properties of pentagonal PtTe2 monolayer

2023/06/19 by Da Wan, Shulin Bai, Mengxiu Wu +4
Materials Science · Engineering · #2D Materials and Applications #Perovskite Materials and Applications #Advanced Thermoelectric Materials and Devices

paper · doi:10.1016/j.vacuum.2023.112343

Citations

• Crystal orbital Hamilton populations (COHP): energy-resolved visualization of chemical bonding in solids based on density-functional calculations
• VASPKIT: A user-friendly interface facilitating high-throughput computing and analysis using VASP code