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- Publisher Website: 10.1103/PhysRevB.55.10830
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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 Xα scattered-wave calculations: Comparison with c(2x2)S/Fe(100)
Title | Structure determination of chemisorbed c(2x2)P/Fe(100) using angle-resolved photoemission extended fine structure and self-consistent-field Xα scattered-wave calculations: Comparison with c(2x2)S/Fe(100) |
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Authors | |
Issue Date | 1997 |
Publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ |
Citation | Physical Review B (Condensed Matter), 1997, v. 55 n. 16, p. 10830-10840 How to Cite? |
Abstract | Angle-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 Identifier | http://hdl.handle.net/10722/174892 |
ISSN | |
ISI Accession Number ID | |
References |
DC Field | Value | Language |
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dc.contributor.author | Huff, WRA | en_US |
dc.contributor.author | Chen, Y | en_US |
dc.contributor.author | Zhang, XS | en_US |
dc.contributor.author | Terminello, LJ | en_US |
dc.contributor.author | Tao, FM | en_US |
dc.contributor.author | Pan, YK | en_US |
dc.contributor.author | Kellar, SA | en_US |
dc.contributor.author | Moler, EJ | en_US |
dc.contributor.author | Hussain, Z | en_US |
dc.contributor.author | Wu, H | en_US |
dc.contributor.author | Zheng, Y | en_US |
dc.contributor.author | Zhou, X | en_US |
dc.contributor.author | Schach Von Wittenau, AE | en_US |
dc.contributor.author | Kim, S | en_US |
dc.contributor.author | Huang, ZQ | en_US |
dc.contributor.author | Yang, ZZ | en_US |
dc.contributor.author | Shirley, DA | en_US |
dc.date.accessioned | 2012-11-26T08:48:00Z | - |
dc.date.available | 2012-11-26T08:48:00Z | - |
dc.date.issued | 1997 | en_US |
dc.identifier.citation | Physical Review B (Condensed Matter), 1997, v. 55 n. 16, p. 10830-10840 | - |
dc.identifier.issn | 0163-1829 | en_US |
dc.identifier.uri | http://hdl.handle.net/10722/174892 | - |
dc.description.abstract | Angle-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.language | eng | en_US |
dc.publisher | American Physical Society. The Journal's web site is located at http://prb.aps.org/ | en_US |
dc.relation.ispartof | Physical Review B (Condensed Matter) | - |
dc.title | Structure determination of chemisorbed c(2x2)P/Fe(100) using angle-resolved photoemission extended fine structure and self-consistent-field Xα scattered-wave calculations: Comparison with c(2x2)S/Fe(100) | en_US |
dc.type | Article | en_US |
dc.identifier.email | Wu, H: hswu@hkucc.hku.hk | en_US |
dc.identifier.authority | Wu, H=rp00813 | en_US |
dc.description.nature | link_to_subscribed_fulltext | en_US |
dc.identifier.doi | 10.1103/PhysRevB.55.10830 | - |
dc.identifier.scopus | eid_2-s2.0-0542395897 | en_US |
dc.relation.references | http://www.scopus.com/mlt/select.url?eid=2-s2.0-0542395897&selection=ref&src=s&origin=recordpage | en_US |
dc.identifier.volume | 55 | en_US |
dc.identifier.issue | 16 | en_US |
dc.identifier.spage | 10830 | en_US |
dc.identifier.epage | 10840 | en_US |
dc.identifier.isi | WOS:A1997WW80300090 | - |
dc.publisher.place | United States | en_US |
dc.identifier.scopusauthorid | Huff, WRA=7102025161 | en_US |
dc.identifier.scopusauthorid | Chen, Y=23014172600 | en_US |
dc.identifier.scopusauthorid | Zhang, XS=8067293500 | en_US |
dc.identifier.scopusauthorid | Terminello, LJ=7006544029 | en_US |
dc.identifier.scopusauthorid | Tao, FM=7101883246 | en_US |
dc.identifier.scopusauthorid | Pan, YK=7403340275 | en_US |
dc.identifier.scopusauthorid | Kellar, SA=6604059708 | en_US |
dc.identifier.scopusauthorid | Moler, EJ=6603906581 | en_US |
dc.identifier.scopusauthorid | Hussain, Z=7101806023 | en_US |
dc.identifier.scopusauthorid | Wu, H=7405584367 | en_US |
dc.identifier.scopusauthorid | Zheng, Y=7404837473 | en_US |
dc.identifier.scopusauthorid | Zhou, X=35231900500 | en_US |
dc.identifier.scopusauthorid | Schach Von Wittenau, AE=6602410392 | en_US |
dc.identifier.scopusauthorid | Kim, S=9235139000 | en_US |
dc.identifier.scopusauthorid | Huang, ZQ=7406220176 | en_US |
dc.identifier.scopusauthorid | Yang, ZZ=7405432431 | en_US |
dc.identifier.scopusauthorid | Shirley, DA=7005738553 | en_US |
dc.identifier.issnl | 0163-1829 | - |