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arXiv · 2104.02791

Electronic Properties of Single-Layer CoO$_2$/Au(111)

Ann Julie U. Holt·Sahar Pakdel·Jonathan Rodríguez-Fernández·Yu Zhang·Davide Curcio·Zhaozong Sun·Paolo Lacovig·Yong-Xin Yao·Jeppe V. Lauritsen·Silvano Lizzit·Nicola Lanatà·Philip Hofmann·Marco Bianchi·Charlotte E. Sanders
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Abstract

We report direct measurements via angle-resolved photoemission spectroscopy (ARPES) of the electronic dispersion of single-layer CoO$_2$. The Fermi contour consists of a large hole pocket centered at the $\overline{\Gamma}$ point. To interpret the ARPES results, we use density functional theory (DFT) in combination with the multi-orbital Gutzwiller Approximation (DFT+GA), basing our calculations on crystalline structure parameters derived from x-ray photoelectron diffraction and low-energy electron diffraction. Our calculations are in good agreement with the measured dispersion. We conclude that the material is a moderately correlated metal. We also discuss substrate effects, and the influence of hydroxylation on the CoO$_2$ single-layer electronic structure.

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Ann Julie U. Holt, Sahar Pakdel, Jonathan Rodríguez-Fernández, Yu Zhang, Davide Curcio, Zhaozong Sun, Paolo Lacovig, Yong-Xin Yao, Jeppe V. Lauritsen, Silvano Lizzit, Nicola Lanatà, Philip Hofmann, Marco Bianchi, Charlotte E. Sanders. 2021-04-06. Electronic Properties of Single-Layer CoO$_2$/Au(111). https://arxiv.org/abs/2104.02791

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