First-principles examination of two-dimensional Janus quintuple-layer atomic structures XCrSiN<sub>2</sub> (X = S, Se, and Te)
Tran P. T. Linh, Nguyen V. Hieu, Nguyen V. Hieu, Bui D. Hoi, Cuong Q. Nguyen, Nguyen N. Hieu, Nguyen N. Hieu
Abstract
In this work, we propose novel two-dimensional Janus XCrSiN 2 (X = S, Se, and Te) single-layers and comprehensively investigate their crystal structure, electronic properties, and carrier mobility by using a first-principles method.
Topics & Concepts
JanusLayer (electronics)Materials sciencePhysicsCondensed matter physicsCrystallographyAtomic physicsNanotechnologyChemistry2D Materials and ApplicationsMachine Learning in Materials ScienceElectronic and Structural Properties of Oxides