TY - JOUR
T1 - Charge and spin states of metal atoms adsorbed on ultrathin MgO/Fe(001) films
AU - Park, Jinwoo
AU - Yu, B. D.
AU - Kim, Hanchul
PY - 2009/6/25
Y1 - 2009/6/25
N2 - 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).
AB - 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).
UR - http://www.scopus.com/inward/record.url?scp=68949094414&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.79.233407
DO - 10.1103/PhysRevB.79.233407
M3 - Article
AN - SCOPUS:68949094414
SN - 1098-0121
VL - 79
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 23
M1 - 233407
ER -