Anion photoelectron spectroscopy and density functional theory study of TM<sub>2</sub>Si<sub><i>n</i></sub><sup>−</sup> (TM = V, Cr; <i>n</i> = 14–20) clusters
Kai Wang, Guangjia Yin, Zezhao Jia, Lin Miao, Ramiro Moro, Bernd von Issendorff, Lei Ma
Abstract
have the largest average binding energy and second order differences in energy, therefore the highest relative stability. All of the clusters possess total magnetic moment of 1 μB, but with very different contributions from the doped TM atoms. Especially in the Cr doped clusters there is a tendency towards an anitiferromagnetic arrangement of the magnetic moments of the two Cr atoms.
Topics & Concepts
X-ray photoelectron spectroscopyDensity functional theoryIonSpectroscopyChemistryPhysical chemistryAtomic physicsAnalytical Chemistry (journal)CrystallographyMaterials sciencePhysicsComputational chemistryNuclear magnetic resonanceOrganic chemistryChromatographyQuantum mechanicsAdvanced Chemical Physics StudiesIron-based superconductors researchInorganic Chemistry and Materials