High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As)

Singh, Nirpendra; Schwingenschlögl, Udo

High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As)

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High Eu 4f low-energy oscillator strength in the isostructural rare-earth Zintl compounds EuIn2X2 (X = P,As).pdf (993.4 KB)

Type

Article

Authors

Singh, Nirpendra

Schwingenschlögl, Udo

KAUST Department

Computational Physics and Materials Science (CPMS)
Material Science and Engineering Program
Physical Science and Engineering (PSE) Division

Online Publication Date

2012-04-12

Print Publication Date

2012-04-09

Date

2012-04-12

Abstract

The 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.

Citation

Singh 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.