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Charge and spin states of metal atoms adsorbed on ultrathin MgO/Fe(001) films

Authors
Park, JinwooYu, B. D.Kim, Hanchul
Issue Date
Jun-2009
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v.79, no.23
Journal Title
PHYSICAL REVIEW B
Volume
79
Number
23
URI
https://scholarworks.sookmyung.ac.kr/handle/2020.sw.sookmyung/13753
DOI
10.1103/PhysRevB.79.233407
ISSN
2469-9950
Abstract
Recent works on nanosized metal systems demonstrated the importance of charge states in the various reactions of metal atoms adsorbed on metal-supported ultrathin oxide films, such as MgO/Mo(001) and MgO/Ag(001). With the use of density-functional theory calculations, we propose ultrathin MgO/Fe(001) film as a viable thin oxide model system that presents a way of modifying the charge and/or spin states of metal adsorbates on surfaces. Indeed, due to the presence of the Fe substrate, Pd atoms were calculated to be charged and/or spin polarized, depending on the MgO thickness, which contrasted that of previous results with Pd/MgO/Mo(001) and Pd/MgO/Ag(001).
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