Structure of mono- and bilayer FeO on Ru(0001): STM and DFT study

Scanning tunneling microscopy (STM) and density functional theory (DFT) are used to determine the structure of mono- and bilayer iron monoxide (FeO) islands and films grown on Ru(0001). The experimental results provide information on the atomic and Moire ' periodicities, the height of mono- and bilayer structures, the mutual shift of their crystalline lattices and the rotation with respect to the underlying single-crystal support. Based on the determined parameters, structural models are proposed. The calculations reveal the preferred stacking configurations of Fe and O layers in both structures, their stability within different high-symmetry regions of the Moire ' supercell (top, fcc, hcp), the interlayer spacings and the possible magnetic configurations.

Automated summary

In this study, the structure of mono- and bilayer FeO islands and films grown on Ru(0001) was determined using STM and DFT techniques. Experimental results provided information on atomic and Moire periodicities, height of structures, lattice shift, and rotation. Proposed structural models were based on the determined parameters. Calculations revealed preferred stacking configurations, stability in different high-symmetry regions, interlayer spacings, and possible magnetic configurations.