Structural and vibrational properties of two-dimensional $\rm Mn_xO_y$ nanolayers on Pd(100)

TL;DR

This study combines experimental techniques and density functional theory to investigate the formation and properties of manganese oxide nanolayers on Pd(100), revealing distinct structural regimes and detailed atomic configurations.

Contribution

It provides a comprehensive analysis of Mn_xO_y nanolayers on Pd(100), identifying two main structural regimes and validating models with experimental data.

Findings

Identification of two oxygen-rich MnO(111)-like phases

Discovery of lower oxygen content MnO(100)-like phases

Excellent agreement between theory and experimental imaging and spectra

Abstract

Using different experimental techniques combined with density functional based theoretical methods we have explored the formation of interface-stabilized manganese oxide structures grown on Pd(100) at (sub)monolayer coverage. Amongst the multitude of phases experimentally observed we focus our attention on four structures which can be classified into two distinct regimes, characterized by different building blocks. Two oxygen-rich phases are described in terms of MnO(111)-like O-Mn-O trilayers, whereas the other two have a lower oxygen content and are based on a MnO(100)-like monolayer structure. The excellent agreement between calculated and experimental scanning tunneling microscopy images and vibrational electron energy loss spectra allows for a detailed atomic description of the explored models.