Model of gas adsorption on magnetic surfaces

Pick, Štěpán

doi:10.1016/s0039-6028(97)00610-9

Cited by 12 publications

(4 citation statements)

References 46 publications

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“…To study the chemisorption, the O (2 p) orbitals 16,33 or the CO 5 and 2* orbitals, 34,35 respectively, are included. The ͑nearest-neighbor͒ O-Co and C-Co hopping integrals are derived from the Slater-Koster parameters of Harrison; 36 the d Ϫ7/2 distance scaling is understood.…”

Section: Modelmentioning

confidence: 99%

“…For the strong ferromagnet iron, the oxygen chemisorption leads to a slight enhancement of magnetization. [13][14][15] It is likely 16 that the enhancement is due to the oxygen-induced surface expansion. [13][14][15] Only when oxygen penetrates into the metal and/or an oxide is formed, the situation changes.…”

Section: Introductionmentioning

confidence: 99%

“…Quite recently, a similar behavior has also been observed for Co clusters on sapphire. 25 The tight-binding model of the hypothetical magnetic V͑001͒ surface concludes 16 that the effect of oxygen is strong ͑weak͒ if the free surface magnetization is weak ͑strong͒.…”

Section: Introductionmentioning

confidence: 99%

“…That is why we believe that it is of interest to extend our semiempirical calculations of oxygen 16 and CO ͑Ref. 29͒ adsorption on magnetic surfaces to the Co͑0001͒ surface and cobalt clusters, respectively.…”

Section: Introductionmentioning

confidence: 99%

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Tight-binding study of the CO chemisorption effect on cobalt magnetization

Pick

Dreyssé

1999

Phys. Rev. B

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By using a semiempirical self-consistent tight-binding scheme we study the effect of O and CO chemisorption on the Co͑0001͒ surface magnetization. Similar calculations are performed for the Co 13 and Co 55 clusters of high symmetry. The CO molecule in the atop position, but not in the bridge geometry, is effective in local magnetization quenching. In clusters magnetic phase transitions are observed as the Co-CO separation varies. When the separation is more than about 1.8 Å, the Co magnetization remains strong. The character of phase transitions conforms to the formal predictions based on the Landau theory.

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