Two-dimensional Janus MGeSiP<sub>4</sub> (M = Ti, Zr, and Hf) with an indirect band gap and high carrier mobilities: first-principles calculations
Nguyen T. Hiep, Nguyen Pham Quynh Anh, Huynh V. Phuc, Cuong Q. Nguyen, Nguyen N. Hieu, Vo T. T. Vi
Abstract
monolayers and demonstrate their great potential applications in nanoelectronic and/or optoelectronic devices. This investigation could stimulate further theoretical and experimental studies on these excellent materials and motivate further explorations of new members of this 2D Janus family.
Topics & Concepts
JanusDensity functional theoryBand gapMaterials scienceMonolayerMobilitiesCondensed matter physicsCrystallographyChemical physicsChemistryComputational chemistryNanotechnologyOptoelectronicsPhysicsSocial scienceSociology2D Materials and ApplicationsMXene and MAX Phase MaterialsIron-based superconductors research