Misfit-induced modification of structure and magnetism in O/Fe(001)-4p(1 \times 1)

Accepted

The geometry of oxygen atoms in hollow sites of Fe nano islands ( 1-2 nm) on Fe(001) is modified by mesoscopic misfit induced relaxations of the island atoms. Surface x-ray diffraction, scanning tunnelling microscopy and ab-initio calculations indicate a 0.3 Å increased adsorption height [0.7 Å versus 0.4 Å in O/Fe(001)-p(1×1)] of O atoms going in parallel with a reduced Fe-Fe layer spacing inducing a reduction of the surface magnetic moment (2.85 mB versus 3.21 mB). Our results demonstrate the importance of the mesoscopic misfit for surface physical properties in general.