High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As)
KAUST DepartmentComputational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division
Online Publication Date2012-04-12
Print Publication Date2012-04-09
Permanent link to this recordhttp://hdl.handle.net/10754/315742
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AbstractThe isostructral Zintl compounds EuIn2X2 (X = P,As) are investigated within density functional theory. We employ the local spin density approximation with onsite interaction (LSDA + U) for varying U from 0 eV to 7 eV to model the Coulomb repulsion of the Eu 4f electrons. The LSDA + U optical conductivity disagrees with the experimental spectrum, while the simple LSDA is successful. Contrary to the expectation, it is found that EuIn2X2 (X = P,As) has a large oscillator strength for the f → d transitions in the low-energy range (below 1.5 eV) in which effects of the joint density of states play a key role. The materials show a sizeable magneto-optical Kerr effect.
CitationSingh N, Schwingenschlögl U (2012) High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As). Appl Phys Lett 100: 151906. doi:10.1063/1.3702787.
JournalApplied Physics Letters