First-principles study on the structural properties of 2D MXene SnSiGeN<sub>4</sub>and its electronic properties under the effects of strain and an external electric field
Dat D. Vo, Tuan V. Vu, A.A. Lavrentyev, О.Y. Khyzhun, Nguyen N. Hieu, Hien D. Tong
Abstract
The MXene SnSiGeN 4 monolayer as a new member of the MoSi 2 N 4 family was proposed for the first time, and its structural and electronic properties were explored by applying first-principles calculations with both PBE and hybrid HSE06 approaches.
Topics & Concepts
MXenesElectric fieldBand gapMonolayerMaterials scienceCondensed matter physicsSemiconductorAtomic orbitalHoneycombHybrid functionalDirect and indirect band gapsElectronic band structureElectronic structureElectronNanotechnologyOptoelectronicsDensity functional theoryChemistryComputational chemistryPhysicsQuantum mechanicsComposite materialMXene and MAX Phase Materials2D Materials and ApplicationsGraphene research and applications