First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface
2009 (English)In: The Journal of Physical Chemistry C, ISSN 1932-7447, E-ISSN 1932-7455, Vol. 113, no 19, 8302-8305 p.Article in journal (Refereed) Published
The geometric, electronic, and magnetic properties of the FeO monolayer on a Pt(111) surface are investigated by first principles calculations. Generally, antiferromagnetic (AFM) structures are more stable than that of the ferromagnetic one. On the basis of a specific AFM structure, the long puzzling scanning tunneling microscopy (STM) experimental observations can be well explained. In this AFM model, the Fe-O layer distance at the fee region is larger than the hcp region, in contrast to previous theoretical results. The STM images at the field-emission regime are explained by local surface potential.
Place, publisher, year, edition, pages
2009. Vol. 113, no 19, 8302-8305 p.
initio molecular-dynamics, scanning-tunneling-microscopy, augmented-wave method, ultrathin films, nickel-oxide, monolayer, pt(111), transition, nial(110), mechanism
IdentifiersURN: urn:nbn:se:kth:diva-10324DOI: 10.1021/jp810751jISI: 000265895500048ScopusID: 2-s2.0-67049171543OAI: oai:DiVA.org:kth-10324DiVA: diva2:214751
QC 20100819. Updated from submitted to published, 20120315. Previous title: First principles study of the geometric and electronic structure of FeO/Pt(111) surface2009-05-062009-05-062012-03-15Bibliographically approved