Crystals · 2011 · 17 citations · 30 references
Natural SciencesChemistryMaterials ScienceCrystal StructureInorganic ChemistrySemiconductor MaterialsCluster ChemistryCluster CompoundsCoordination ChemistryCrystal ChemistryElectronic Band StructureWide Band Gap SemiconductorsBand Gap EnergyBand Structure CalculationCluster SynthesisEnergy Band GapMolecular ClustersTransition Metal ClustersZintl ClustersZintl Phases
Three new cluster compounds, Cs2NaAs7, Cs4ZnAs14, and Cs4CdAs14 were obtained from high temperature reactions. Their structures feature heptaarsenide [As7]3– anions, where the clusters in Cs4ZnAs14 and Cs4CdAs14 are dimerized by the linkers Zn and Cd, respectively. The bonding characteristics of these clusters are discussed and compared. Band structure calculation on Cs2NaAs7 suggests that this compound is a semiconductor with an energy gap of circa 1.6 eV, which is in consistent with the dark red color of the crystals.
30
OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text
Explicit, First-Principles Tight-Binding Theory
O. K. Andersen, O. Jepsen · Physical Review Letters · 1984 · 2.8K citations
Natural Sciences, Chemistry, Physics +11