Journal of Materials Chemistry A · 2020 · 76 citations · 53 references
Natural SciencesChemistryMaterials ScienceElectronic MaterialsInorganic ChemistryMaterials PhysicsDopingElectrical ConductivityMetal-semiconductor ContactsOxide SemiconductorsSemiconductor DefectsSemiconductor PhysicsConductivity In OxidesDoping Effects On Device PerformanceHole TransportOxygen VacanciesOxygen Vacancies In Metal OxidesOxygen Vacancy ChemistryOxygen Vacancy FormationSemiconductor Conductivity
Metal to semiconductor transition by hole compensation of excess electrons from <italic>V</italic><sub>O</sub> and localized <italic>V</italic><sub>O</sub> state in La<sub>0.5</sub>Sr<sub>0.5</sub>FeO<sub>3−δ</sub> under low <italic>P</italic><sub>O2</sub>.
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Improved grid‐based algorithm for Bader charge allocation
Edward Sanville, S.D. Kenny, Roger Smith et al. · Journal of Computational Chemistry · 2007 · 4.2K citations · Full text