Hunting the elusive shallow n-type donor – An ab initio study of Li and N co-doped diamond
Sergio Conejeros, Muhammad Zamir Othman, Alex Croot, Judy N. Hart, Kane M. O’Donnell, Paul May, Neil L. Allan
Topics & Concepts
DopantDensity functional theoryHybrid functionalDiamondAb initioShallow donorLithium (medication)DopingCluster (spacecraft)Materials scienceInterstitial defectChemistryAb initio quantum chemistry methodsCrystallographyComputational chemistryChemical physicsMoleculeOrganic chemistryOptoelectronicsComputer scienceProgramming languageEndocrinologyMedicineBoron and Carbon Nanomaterials ResearchMXene and MAX Phase MaterialsInorganic Chemistry and Materials