density functional calculations ; chemisorption ; magnetic surfaces
Subject RIV
CF - Physical ; Theoretical Chemistry
R&D Projects
OC P3.140 GA MŠMT - Ministry of Education, Youth and Sports (MEYS)
CEZ
AV0Z4040901 - UFCH-W
Annotation
Calculations of C, N and O adsorption on magnetic Co(0001) surface are performed within the local-density-functional tight-binding scheme. For the low-coverage p(2x2) overlayers, the Co magnetization is reduced by C and N roughly twice, the effect of O is weaker. For the dense p(1x1) structure the magnetization supression by C or N becomes yet more marked and is large also for O.
