Theory Department
Max Planck Institute of Microstructure Physics
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Feng, W., Meyerheim, H. L., Mohseni, K., Brovko, O. O., Stepanyuk, V. S., Jedrecy, N., Felici, R., Kirschner, J.

Misfit-induced modification of structure and magnetism in O/Fe(001)-p(1x1)
Physical Review Letters 110, (23),pp 235503/1-5 (2013)
The geometry of oxygen atoms in hollow sites of Fe nanoislands (∅ ≈ 1-2 nm) on Fe(001) is modified by mesoscopic misfit-induced relaxations of the island atoms. Surface x-ray diffraction, scanning tunneling microscopy, and ab initio calculations indicate a 0.3 Å increased adsorption height [0.7 Å versus 0.4 in O/Fe(001)-p(1x1)] of O atoms going in parallel with a reduced Fe-Fe layer spacing inducing a reduction of the surface magnetic moment (2.85 μB versus 3.2μB ). Our results demonstrate the importance of the mesoscopic misfit for surface physical properties in general.

TH-2013-15