Fluorine adatoms on silver appear as depressions or sombreros in STM because oxidation contracts the silver 5s orbitals while fluorine 2p orbitals protrude at negative bias.
Charge Transfer and $dd$ excitations in AgF$_{2}$
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abstract
Charge transfer (CT) insulators are the parent phase of a large group of today's unconventional high-temperature superconductors. Here we study experimentally and theoretically the interband excitations of the CT insulator silver fluoride AgF$_2$, which has been proposed as an excellent analogue of oxocuprates. Optical conductivity and resonant inelastic X-ray scattering (RIXS) on AgF$_2$ polycrystalline sample show a close similarity with that measured on undoped La$_2$CuO$_4$. While the former shows a CT gap $\sim$3.4 eV, larger than in the cuprate, $dd$ excitations are nearly at the same energy in the two materials. DFT and exact diagonalization cluster computations of the multiplet spectra show that AgF$_2$ is more covalent than the cuprate, in spite of the larger fundamental gap. Furthermore, we show that AgF$_2$ is at the verge of a charge transfer instability. The overall resemblance of our data on AgF$_2$ to those published previously on La$_2$CuO$_4$ suggests that the underlying CT insulator physics is the same, while AgF$_2$ could also benefit from a proximity to a charge density wave phase as in BaBiO$_3$. Therefore, our work provides a compelling support to the future use of fluoroargentates for materials' engineering of novel high-temperature superconductors.
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2024 1verdicts
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How orbitals and oxidation states determine apparent topographies in scanning tunneling microscopy: the case of fluorine on silver surfaces
Fluorine adatoms on silver appear as depressions or sombreros in STM because oxidation contracts the silver 5s orbitals while fluorine 2p orbitals protrude at negative bias.