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Article: Structure determination of chemisorbed c(2x2)P/Fe(100) using angle-resolved photoemission extended fine structure and self-consistent-field X α scattered-wave calculations: Comparison with c (2x2)S/Fe(100)

TitleStructure determination of chemisorbed c(2x2)P/Fe(100) using angle-resolved photoemission extended fine structure and self-consistent-field X α scattered-wave calculations: Comparison with c (2x2)S/Fe(100)
Authors
Issue Date1997
PublisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/
Citation
Physical Review B - Condensed Matter And Materials Physics, 1997, v. 55 n. 16, p. 10830-10840 How to Cite?
AbstractAngle-resolved photoemission extended fine structure (ARPEFS) was used to determine the structure of c(2x2)P/Fe(100). Photoemission data were collected normal to the (100) surface and 45° off-normal along the [011] direction at room temperature. A close analysis of the autoregressive linear-prediction-based Fourier transform indicates that the P atoms adsorb in the high-coordination fourfold hollow sites. Curved-wave multiple-scattering calculations confirmed the fourfold hollow adsorption site. The P atoms were determined to bond 1.02 Å above the first layer of Fe atoms and the Fe-P-Fe bond angle is 140.6°. Additionally, it was determined that there was no expansion of the Fe surface. Self-consistent-field Xα scattered-wave calculations were performed for the c(2x2)P/Fe(100) and the c(2x2)S/Fe(100) systems. These independent results are in excellent agreement with this P/Fe structure and the S/Fe structure previously published, confirming the ARPEFS determination that the Fe 1-Fe 2 interlayer spacing is contracted from the bulk value for S/Fe but not for P/Fe. Finally, this structure is compared to structures from the literature of atomic nitrogen, atomic oxygen, and sulfur adsorbed on the Fe(100) surface.
Persistent Identifierhttp://hdl.handle.net/10722/174892
ISSN
2001 Impact Factor: 3.07
References

 

DC FieldValueLanguage
dc.contributor.authorHuff, WRAen_US
dc.contributor.authorChen, Yen_US
dc.contributor.authorZhang, XSen_US
dc.contributor.authorTerminello, LJen_US
dc.contributor.authorTao, FMen_US
dc.contributor.authorPan, YKen_US
dc.contributor.authorKellar, SAen_US
dc.contributor.authorMoler, EJen_US
dc.contributor.authorHussain, Zen_US
dc.contributor.authorWu, Hen_US
dc.contributor.authorZheng, Yen_US
dc.contributor.authorZhou, Xen_US
dc.contributor.authorSchach Von Wittenau, AEen_US
dc.contributor.authorKim, Sen_US
dc.contributor.authorHuang, ZQen_US
dc.contributor.authorYang, ZZen_US
dc.contributor.authorShirley, DAen_US
dc.date.accessioned2012-11-26T08:48:00Z-
dc.date.available2012-11-26T08:48:00Z-
dc.date.issued1997en_US
dc.identifier.citationPhysical Review B - Condensed Matter And Materials Physics, 1997, v. 55 n. 16, p. 10830-10840en_US
dc.identifier.issn0163-1829en_US
dc.identifier.urihttp://hdl.handle.net/10722/174892-
dc.description.abstractAngle-resolved photoemission extended fine structure (ARPEFS) was used to determine the structure of c(2x2)P/Fe(100). Photoemission data were collected normal to the (100) surface and 45° off-normal along the [011] direction at room temperature. A close analysis of the autoregressive linear-prediction-based Fourier transform indicates that the P atoms adsorb in the high-coordination fourfold hollow sites. Curved-wave multiple-scattering calculations confirmed the fourfold hollow adsorption site. The P atoms were determined to bond 1.02 Å above the first layer of Fe atoms and the Fe-P-Fe bond angle is 140.6°. Additionally, it was determined that there was no expansion of the Fe surface. Self-consistent-field Xα scattered-wave calculations were performed for the c(2x2)P/Fe(100) and the c(2x2)S/Fe(100) systems. These independent results are in excellent agreement with this P/Fe structure and the S/Fe structure previously published, confirming the ARPEFS determination that the Fe 1-Fe 2 interlayer spacing is contracted from the bulk value for S/Fe but not for P/Fe. Finally, this structure is compared to structures from the literature of atomic nitrogen, atomic oxygen, and sulfur adsorbed on the Fe(100) surface.en_US
dc.languageengen_US
dc.publisherAmerican Physical Society. The Journal's web site is located at http://prb.aps.org/en_US
dc.relation.ispartofPhysical Review B - Condensed Matter and Materials Physicsen_US
dc.titleStructure determination of chemisorbed c(2x2)P/Fe(100) using angle-resolved photoemission extended fine structure and self-consistent-field X α scattered-wave calculations: Comparison with c (2x2)S/Fe(100)en_US
dc.typeArticleen_US
dc.identifier.emailWu, H: hswu@hkucc.hku.hken_US
dc.identifier.authorityWu, H=rp00813en_US
dc.description.naturelink_to_subscribed_fulltexten_US
dc.identifier.scopuseid_2-s2.0-0542395897en_US
dc.relation.referenceshttp://www.scopus.com/mlt/select.url?eid=2-s2.0-0542395897&selection=ref&src=s&origin=recordpageen_US
dc.identifier.volume55en_US
dc.identifier.issue16en_US
dc.identifier.spage10830en_US
dc.identifier.epage10840en_US
dc.publisher.placeUnited Statesen_US
dc.identifier.scopusauthoridHuff, WRA=7102025161en_US
dc.identifier.scopusauthoridChen, Y=23014172600en_US
dc.identifier.scopusauthoridZhang, XS=8067293500en_US
dc.identifier.scopusauthoridTerminello, LJ=7006544029en_US
dc.identifier.scopusauthoridTao, FM=7101883246en_US
dc.identifier.scopusauthoridPan, YK=7403340275en_US
dc.identifier.scopusauthoridKellar, SA=6604059708en_US
dc.identifier.scopusauthoridMoler, EJ=6603906581en_US
dc.identifier.scopusauthoridHussain, Z=7101806023en_US
dc.identifier.scopusauthoridWu, H=7405584367en_US
dc.identifier.scopusauthoridZheng, Y=7404837473en_US
dc.identifier.scopusauthoridZhou, X=35231900500en_US
dc.identifier.scopusauthoridSchach Von Wittenau, AE=6602410392en_US
dc.identifier.scopusauthoridKim, S=9235139000en_US
dc.identifier.scopusauthoridHuang, ZQ=7406220176en_US
dc.identifier.scopusauthoridYang, ZZ=7405432431en_US
dc.identifier.scopusauthoridShirley, DA=7005738553en_US

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