Novel two-dimensional HfSi2N4 monolayer with excellent bandgap modulation and electronic properties modulation
M Yang, H Huang, W Zhao - Journal of Molecular Modeling, 2024 - Springer
The bandgap modulation and electronic properties modulation of two-dimensional HfSi2N4
monolayer induced by strain, electric field and atomic adsorption are studied by first …
monolayer induced by strain, electric field and atomic adsorption are studied by first …
New Insights Into the Structural, Electronic, Optical and Phonon Properties of Cubic and Orthorhombic Cspbi3 Perovskite Through First-principles Method for …
MO Nyamunga - 2023 - erepository.uonbi.ac.ke
This study has been done using the first-principles technique based on the plane wave self-
consistent field method as implemented in the quantum espresso computational code. The …
consistent field method as implemented in the quantum espresso computational code. The …