The structure of the V2O3(0001) surface : A scanned-energy mode photoelectron diffraction study
Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar...
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| Veröffentlicht in: | Surface science 2007-08, Vol.601 (16), p.3350-3360 |
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| creator | KRÖGER, E. A SAYAGO, D. I ALLEGRETTI, F KNIGHT, M. J POLCIK, M UNTERBERGER, W LEROTHOLI, T. J HOGAN, K. A LAMONT, C. L. A WOODRUFF, D. P |
| description | Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction methods. However, the PhD investigation fails to provide definitive evidence for the presence or absence of surface vanadyl (VO) species associated with atop O atoms on the surface layer of V atoms. Specifically, the best-fit structure does not include these vanadyl species, although an alternative model with similar relaxations but including vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit structure. |
| doi_str_mv | 10.1016/j.susc.2007.06.014 |
| format | Article |
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A ; SAYAGO, D. I ; ALLEGRETTI, F ; KNIGHT, M. J ; POLCIK, M ; UNTERBERGER, W ; LEROTHOLI, T. J ; HOGAN, K. A ; LAMONT, C. L. A ; WOODRUFF, D. P</creator><creatorcontrib>KRÖGER, E. A ; SAYAGO, D. I ; ALLEGRETTI, F ; KNIGHT, M. J ; POLCIK, M ; UNTERBERGER, W ; LEROTHOLI, T. J ; HOGAN, K. A ; LAMONT, C. L. A ; WOODRUFF, D. P</creatorcontrib><description>Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction methods. However, the PhD investigation fails to provide definitive evidence for the presence or absence of surface vanadyl (VO) species associated with atop O atoms on the surface layer of V atoms. Specifically, the best-fit structure does not include these vanadyl species, although an alternative model with similar relaxations but including vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit structure.</description><identifier>ISSN: 0039-6028</identifier><identifier>EISSN: 1879-2758</identifier><identifier>DOI: 10.1016/j.susc.2007.06.014</identifier><identifier>CODEN: SUSCAS</identifier><language>eng</language><publisher>Lausanne: Elsevier Science</publisher><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Cross-disciplinary physics: materials science; rheology ; Exact sciences and technology ; Physics</subject><ispartof>Surface science, 2007-08, Vol.601 (16), p.3350-3360</ispartof><rights>2007 INIST-CNRS</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c352t-368859fafdf4107ced5c946795a8453788deb7d7201b84bcdcb495a84ea905be3</citedby><cites>FETCH-LOGICAL-c352t-368859fafdf4107ced5c946795a8453788deb7d7201b84bcdcb495a84ea905be3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18996337$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>KRÖGER, E. 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The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction methods. However, the PhD investigation fails to provide definitive evidence for the presence or absence of surface vanadyl (VO) species associated with atop O atoms on the surface layer of V atoms. Specifically, the best-fit structure does not include these vanadyl species, although an alternative model with similar relaxations but including vanadyl O atoms yields a reliability-factor within the variance of that of the best-fit structure.</description><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>Exact sciences and technology</subject><subject>Physics</subject><issn>0039-6028</issn><issn>1879-2758</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><recordid>eNpFkE9LxDAQxYMouK5-AU-5KHponTRtk3gT8R8IXtRrSJOJdum2a5Ie9tubVcG5zDDz3oP5EXLKoGTA2qtVGedoywpAlNCWwOo9smBSqKISjdwnCwCuihYqeUiOYlxBrlo1C6JfP5HGFGab5oB08jTlxXv1wi-yhF3SOAdvLNJrekOjNeOIrsARw8eWrieHdPM5pQkHtClMI3W998HY1Oc5ptltj8mBN0PEk7--JG_3d6-3j8Xzy8PT7c1zYXlTpYK3UjbKG-98zUBYdI1VdStUY2TdcCGlw044UQHrZN1ZZ7v654ZGQdMhX5Lz39xNmL5mjEmv-2hxGMyI0xw1BwaqYpCF1a_QhinGgF5vQr82YasZ6B1LvdI7lnrHUkOrM8tsOvtLN5nBkF8cbR__nVKplnPBvwHPWHVa</recordid><startdate>20070815</startdate><enddate>20070815</enddate><creator>KRÖGER, E. 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P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The structure of the V2O3(0001) surface : A scanned-energy mode photoelectron diffraction study</atitle><jtitle>Surface science</jtitle><date>2007-08-15</date><risdate>2007</risdate><volume>601</volume><issue>16</issue><spage>3350</spage><epage>3360</epage><pages>3350-3360</pages><issn>0039-6028</issn><eissn>1879-2758</eissn><coden>SUSCAS</coden><abstract>Scanned-energy mode photoelectron diffraction (PhD), using the O 1s and V 2p photoemission signals, together with multiple-scattering simulations, have been used to investigate the structure of the V2O3(0001) surface. The results support a strongly-relaxed half-metal termination of the bulk, similar to that found in earlier studies of Al2O3(0001) and Cr2O3(0001) surfaces based on low energy electron and surface X-ray diffraction methods. 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| subjects | Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Exact sciences and technology Physics |
| title | The structure of the V2O3(0001) surface : A scanned-energy mode photoelectron diffraction study |
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