Calculation of gas adsorption effect on magnetism of Co(0 0 0 1)
Surface Science, ISSN: 0039-6028, Vol: 474, Issue: 1, Page: 64-70
2001
- 22Citations
- 4Captures
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Article Description
Extended calculations of C, N and O adsorption on magnetic Co(0 0 0 1) surface are performed within the local-density-functional tight-binding linear-muffin-tin-orbital atomic-sphere-approximation scheme. For the low-coverage p(2×2) overlayers, the Co magnetization is reduced by C and N roughly twice, the effect of O is weaker. For the dense p(1×1) structure the magnetization suppression by C or N becomes yet more marked and is large also for O. The sensitivity of results to details of geometry is moderate but not negligible. An exception is the O(1×1) overlayer showing a kind of the surface-magnetization instability. C, N, and sometimes O couple antiferromagnetically to the Co surface.
Bibliographic Details
http://www.sciencedirect.com/science/article/pii/S0039602800009845; http://dx.doi.org/10.1016/s0039-6028(00)00984-5; http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0034831207&origin=inward; http://linkinghub.elsevier.com/retrieve/pii/S0039602800009845; http://api.elsevier.com/content/article/PII:S0039602800009845?httpAccept=text/xml; http://api.elsevier.com/content/article/PII:S0039602800009845?httpAccept=text/plain; https://linkinghub.elsevier.com/retrieve/pii/S0039602800009845; http://dx.doi.org/10.1016/s0039-6028%2800%2900984-5; https://dx.doi.org/10.1016/s0039-6028%2800%2900984-5
Elsevier BV
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