Novel hybrid monolayers Si<sub><i>x</i></sub>Ge<sub><i>y</i></sub>Sn<sub>1−<i>x</i>−<i>y</i></sub>: first principles study of structural, electronic, optical, and electron transport properties with NH<sub>3</sub> sensing application
Touhid Ahmed, Samia Subrina
Abstract
First principles study of novel hybrid monolayers of Si, Ge, and Sn demonstrates direct bandgap, low effective mass, high acoustic phonon-limited mobility, tunable plasma frequency, wide absorption, high refractive indices, NH 3 sensing application.
Topics & Concepts
MonolayerDensity functional theoryOptical conductivityBrillouin zoneCondensed matter physicsBand gapMaterials sciencePhononEffective mass (spring–mass system)Electronic band structureChemistryPhysicsNanotechnologyComputational chemistryQuantum mechanics2D Materials and ApplicationsMXene and MAX Phase MaterialsBoron and Carbon Nanomaterials Research