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

Autor: Holt, Ann Julie U., Pakdel, Sahar, Rodríguez-Fernández, Jonathan, Zhang, Yu, Curcio, Davide, Sun, Zhaozong, Lacovig, Paolo, Yao, Yong-Xin, Lauritsen, Jeppe V., Lizzit, Silvano, Lanatà, Nicola, Hofmann, Philip, Bianchi, Marco, Sanders, Charlotte E.
Rok vydání: 2021
Předmět:
Druh dokumentu: Working Paper
Popis: 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.
Databáze: arXiv