Optical Properties of Dilute CuAl1-xFexO2 Delafossite Alloys

Aziziha, Mina; Akbarshahi, S.; Ghosh, Sayandeep; Pramanik, P.; Sooriyagoda, Rishamli; Romero, Aldo H.; Thota, Subhash; Suresh, Pittala; Bristow, Alan D.; Seehra, M. S.; Johnson, Matthew B.

doi:10.1364/fio.2020.jm6a.31

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“…The x = 1.0 sample was synthesized in an ambient argon at 1000 °C. Details of this work, including structural, chemical, IR/phonon, and magnetic characterization, are given in recent papers. − The optical properties of these alloy powders in UV–visible–near-IR (UV–vis–NIR) of 1–6 eV were measured at room temperature by using diffuse reflectance spectroscopy employing a Shimadzu MPC3100 UV–vis spectrometer with an integrating sphere (using a BaSO 4 powder reference for background correction).…”

Section: Methodsmentioning

confidence: 99%

Identification of a Fe-Dependent Optical Mode in CuAl_1–xFe_xO₂

et al. 2021

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Delafossites are promising candidates for photocatalysis applications because of their chemical stability and absorption in the solar region of the electromagnetic spectrum. For example, CuAlO2 has good chemical stability but has a large indirect band gap, so that efforts to improve its absorption in the solar region through alloying are investigated. The effect of dilute alloying on the optical absorption of powdered CuAl1–x Fe x O2 (x = 0.0–1.0) is measured and compared to electronic band structures calculations using a generalized gradient approximation with Hubbard parameter and spin. A new absorption feature is observed at 1.8 eV for x = 0.01, which red-shifts to 1.4 eV for x = 0.10. This feature is associated with transitions from the L-point valence band maximum to the Fe-3d state that appears below the conduction band of the spin-down band structure. The feature increases the optical absorption below the band gap of pure CuAlO2, making dilute CuAl1–x Fe x O2 alloys better suited for solar photocatalysis.

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