Optical properties and electronic structure of spinel ZnRh 2O 4

D. J. Singh; R. C. Rai; J. L. Musfeldt; S. Auluck; Nirpendra Singh; P. Khalifah; S. McClure; D. G. Mandrus

doi:10.1021/cm060160v

Optical properties and electronic structure of spinel ZnRh ₂O ₄

D. J. Singh, R. C. Rai, J. L. Musfeldt, S. Auluck, Nirpendra Singh, P. Khalifah, S. McClure, D. G. Mandrus

Physics

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Abstract

The electronic structure of normal spinel structure ZnRh ₂O ₄ is investigated using combined optical properties measurements and density functional calculations. We find semiconducting behavior with an indirect band gap between crystal field split Rh 4d levels, with a t _2g valence band and an e _g conduction band. The band gap is found to be ∼1.2 eV based on a comparison of the calculated and measured optical conductivities. The results are discussed in terms of potential photoelectrochemical applications.

Original language	British English
Pages (from-to)	2696-2700
Number of pages	5
Journal	Chemistry of Materials
Volume	18
Issue number	11
DOIs	https://doi.org/10.1021/cm060160v
State	Published - 30 May 2006

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10.1021/cm060160v

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title = "Optical properties and electronic structure of spinel ZnRh 2O 4 ",

abstract = "The electronic structure of normal spinel structure ZnRh 2O 4 is investigated using combined optical properties measurements and density functional calculations. We find semiconducting behavior with an indirect band gap between crystal field split Rh 4d levels, with a t 2g valence band and an e g conduction band. The band gap is found to be ∼1.2 eV based on a comparison of the calculated and measured optical conductivities. The results are discussed in terms of potential photoelectrochemical applications.",

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AU - Singh, D. J.

AU - Rai, R. C.

AU - Musfeldt, J. L.

AU - Auluck, S.

AU - Singh, Nirpendra

AU - Khalifah, P.

AU - McClure, S.

AU - Mandrus, D. G.

PY - 2006/5/30

Y1 - 2006/5/30

N2 - The electronic structure of normal spinel structure ZnRh 2O 4 is investigated using combined optical properties measurements and density functional calculations. We find semiconducting behavior with an indirect band gap between crystal field split Rh 4d levels, with a t 2g valence band and an e g conduction band. The band gap is found to be ∼1.2 eV based on a comparison of the calculated and measured optical conductivities. The results are discussed in terms of potential photoelectrochemical applications.

AB - The electronic structure of normal spinel structure ZnRh 2O 4 is investigated using combined optical properties measurements and density functional calculations. We find semiconducting behavior with an indirect band gap between crystal field split Rh 4d levels, with a t 2g valence band and an e g conduction band. The band gap is found to be ∼1.2 eV based on a comparison of the calculated and measured optical conductivities. The results are discussed in terms of potential photoelectrochemical applications.

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JO - Chemistry of Materials

JF - Chemistry of Materials

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ER -

Optical properties and electronic structure of spinel ZnRh ₂O ₄

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