First-principles calculations to investigate the effects of strain, electric field, and atom impurity on the electronic and magnetic properties of RuX2 (X = S, Se) nanosheets

Abstract

An experimental group (Angew. Chem., Int. Ed., 2021, 60, 7013–7017) has recently demonstrated the synthesis of two-dimensional (2D) RuSe2. The bang-gap increases when bi-axial strain increases from −5% to −1% (−5% to 1%) for and then decreases beyond these strain points.