Ge 4s<sup>2</sup> lone pairs and band alignments in GeS and GeSe for photovoltaics
Matthew J. Smiles, Jonathan M. Skelton, Huw Shiel, Leanne A. H. Jones, Jack E. N. Swallow, H. J. Edwards, Philip A. E. Murgatroyd, Thomas J. Featherstone, P. Thakur, Tien‐Lin Lee, V.R. Dhanak, T. D. Veal
Abstract
GeS and GeSe with Ge 4s 2 lone pairs shown in the structure and observed at the top of the valence band using hard and soft X-ray photoelectron spectroscopy combined with density functional theory.
Topics & Concepts
Lone pairX-ray photoelectron spectroscopyValence bandDensity functional theoryPhotovoltaicsValence (chemistry)CrystallographyMaterials scienceSpectroscopyAtomic physicsBand gapChemistryComputational chemistryPhysicsOptoelectronicsMoleculeNuclear magnetic resonanceQuantum mechanicsPhotovoltaic systemBiologyEcologyOrganic chemistryChalcogenide Semiconductor Thin FilmsQuantum Dots Synthesis And PropertiesSemiconductor materials and interfaces