Optical Properties and Electronic Structure of Spinel ZnRh2O4

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• 作者：D. J. Singh ; R. C. Rai ; J. L. Musfeldt ; S. Auluck ; Nirpendra Singh ; P. Khalifah ; S. McClure ; and D. G. Mandrus
• 刊名：Chemistry of Materials
• 出版年：2006
• 出版时间：May 30, 2006
• 年：2006
• 卷：18
• 期：11
• 页码：2696 - 2700
• 全文大小：121K
• 年卷期：v.18,no.11(May 30, 2006)
• ISSN：1520-5002

文摘

The electronic structure of normal spinel structure ZnRh₂O₄ is investigated using combined opticalproperties measurements and density functional calculations. We find semiconducting behavior with anindirect band gap between crystal field split Rh 4d levels, with a t_2g valence band and an e_g conductionband. The band gap is found to be ~1.2 eV based on a comparison of the calculated and measuredoptical conductivities. The results are discussed in terms of potential photoelectrochemical applications.