Quantum-size effect in thin Al(110) slabs
The work function and surface energy have been calculated for relaxed thin Al(110) slabs using local density-functional theory, first-principles pseudopotentials and a plane-wave basis set. A significant quantum-size effect (QSE) exhibited by both these quantities as well as surface relaxation can b...
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| Veröffentlicht in: | Surface science 1999-07, Vol.432 (1), p.54-60 |
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| creator | Kiejna, A. Peisert, J. Scharoch, P. |
| description | The work function and surface energy have been calculated for relaxed thin Al(110) slabs using local density-functional theory, first-principles pseudopotentials and a plane-wave basis set. A significant quantum-size effect (QSE) exhibited by both these quantities as well as surface relaxation can be interpreted on the basis of existing jellium calculations. Our calculations show that the QSE persists for slabs up to 15 to 16 atomic layers thick. So even for thick slabs, oriented with the open (110) surface plane, the calculated surface quantities are given with some uncertainty due to the QSE. |
| doi_str_mv | 10.1016/S0039-6028(99)00510-5 |
| format | Article |
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A significant quantum-size effect (QSE) exhibited by both these quantities as well as surface relaxation can be interpreted on the basis of existing jellium calculations. Our calculations show that the QSE persists for slabs up to 15 to 16 atomic layers thick. So even for thick slabs, oriented with the open (110) surface plane, the calculated surface quantities are given with some uncertainty due to the QSE.</description><identifier>ISSN: 0039-6028</identifier><identifier>EISSN: 1879-2758</identifier><identifier>DOI: 10.1016/S0039-6028(99)00510-5</identifier><identifier>CODEN: SUSCAS</identifier><language>eng</language><publisher>Lausanne: Elsevier B.V</publisher><subject>Aluminum ; Applied sciences ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Density functional calculations ; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures ; Exact sciences and technology ; Metals. Metallurgy ; Molecular dynamics ; Physics ; Quantum effects ; Single crystal surfaces ; Solid surfaces and solid-solid interfaces ; Surface double layers, schottky barriers, and work functions ; Surface energy ; Surface relaxation ; Surface structure and topography ; Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties) ; Work function</subject><ispartof>Surface science, 1999-07, Vol.432 (1), p.54-60</ispartof><rights>1999 Elsevier Science B.V.</rights><rights>1999 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c367t-d2faa29acbb6423410a43e56cd2f8e9040652043f4782dcbac68361ce150e0513</citedby><cites>FETCH-LOGICAL-c367t-d2faa29acbb6423410a43e56cd2f8e9040652043f4782dcbac68361ce150e0513</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/S0039-6028(99)00510-5$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3550,27924,27925,45995</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=1868999$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Kiejna, A.</creatorcontrib><creatorcontrib>Peisert, J.</creatorcontrib><creatorcontrib>Scharoch, P.</creatorcontrib><title>Quantum-size effect in thin Al(110) slabs</title><title>Surface science</title><description>The work function and surface energy have been calculated for relaxed thin Al(110) slabs using local density-functional theory, first-principles pseudopotentials and a plane-wave basis set. A significant quantum-size effect (QSE) exhibited by both these quantities as well as surface relaxation can be interpreted on the basis of existing jellium calculations. Our calculations show that the QSE persists for slabs up to 15 to 16 atomic layers thick. So even for thick slabs, oriented with the open (110) surface plane, the calculated surface quantities are given with some uncertainty due to the QSE.</description><subject>Aluminum</subject><subject>Applied sciences</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Density functional calculations</subject><subject>Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures</subject><subject>Exact sciences and technology</subject><subject>Metals. Metallurgy</subject><subject>Molecular dynamics</subject><subject>Physics</subject><subject>Quantum effects</subject><subject>Single crystal surfaces</subject><subject>Solid surfaces and solid-solid interfaces</subject><subject>Surface double layers, schottky barriers, and work functions</subject><subject>Surface energy</subject><subject>Surface relaxation</subject><subject>Surface structure and topography</subject><subject>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</subject><subject>Work function</subject><issn>0039-6028</issn><issn>1879-2758</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1999</creationdate><recordtype>article</recordtype><recordid>eNqFkE1LxDAQhoMouK7-BKEHkd1DdZImaXISWfyCBRH1HNJ0ipFuuyZdQX-92Q_06BxmDvPMvDMvIacULihQefkMUOhcAlMTracAgkIu9siIqlLnrBRqn4x-kUNyFOM7pOBajMj0aWW7YbXIo__GDJsG3ZD5LhveUrpuJ5TCNIutreIxOWhsG_FkV8fk9fbmZXafzx_vHmbX89wVshzymjXWMm1dVUnOCk7B8gKFdKmhUAMHKRjwouGlYrWrrJOqkNQhFYDp9GJMzrd7l6H_WGEczMJHh21rO-xX0bAStNacJ1BsQRf6GAM2Zhn8woYvQ8GsjTEbY8z6a6O12RhjRJo72wnY6GzbBNs5H_-GlVRJIGFXWwzTs58eg4nOY-ew9iGZZOre_yP0AwbvdCQ</recordid><startdate>19990709</startdate><enddate>19990709</enddate><creator>Kiejna, A.</creator><creator>Peisert, J.</creator><creator>Scharoch, P.</creator><general>Elsevier B.V</general><general>Elsevier Science</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>19990709</creationdate><title>Quantum-size effect in thin Al(110) slabs</title><author>Kiejna, A. ; Peisert, J. ; Scharoch, P.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c367t-d2faa29acbb6423410a43e56cd2f8e9040652043f4782dcbac68361ce150e0513</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1999</creationdate><topic>Aluminum</topic><topic>Applied sciences</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Density functional calculations</topic><topic>Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures</topic><topic>Exact sciences and technology</topic><topic>Metals. Metallurgy</topic><topic>Molecular dynamics</topic><topic>Physics</topic><topic>Quantum effects</topic><topic>Single crystal surfaces</topic><topic>Solid surfaces and solid-solid interfaces</topic><topic>Surface double layers, schottky barriers, and work functions</topic><topic>Surface energy</topic><topic>Surface relaxation</topic><topic>Surface structure and topography</topic><topic>Surfaces and interfaces; thin films and whiskers (structure and nonelectronic properties)</topic><topic>Work function</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Kiejna, A.</creatorcontrib><creatorcontrib>Peisert, J.</creatorcontrib><creatorcontrib>Scharoch, P.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Aluminium Industry Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Surface science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Kiejna, A.</au><au>Peisert, J.</au><au>Scharoch, P.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Quantum-size effect in thin Al(110) slabs</atitle><jtitle>Surface science</jtitle><date>1999-07-09</date><risdate>1999</risdate><volume>432</volume><issue>1</issue><spage>54</spage><epage>60</epage><pages>54-60</pages><issn>0039-6028</issn><eissn>1879-2758</eissn><coden>SUSCAS</coden><abstract>The work function and surface energy have been calculated for relaxed thin Al(110) slabs using local density-functional theory, first-principles pseudopotentials and a plane-wave basis set. A significant quantum-size effect (QSE) exhibited by both these quantities as well as surface relaxation can be interpreted on the basis of existing jellium calculations. Our calculations show that the QSE persists for slabs up to 15 to 16 atomic layers thick. So even for thick slabs, oriented with the open (110) surface plane, the calculated surface quantities are given with some uncertainty due to the QSE.</abstract><cop>Lausanne</cop><cop>Amsterdam</cop><cop>New York, NY</cop><pub>Elsevier B.V</pub><doi>10.1016/S0039-6028(99)00510-5</doi><tpages>7</tpages></addata></record> |
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| ispartof | Surface science, 1999-07, Vol.432 (1), p.54-60 |
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| subjects | Aluminum Applied sciences Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Density functional calculations Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Exact sciences and technology Metals. Metallurgy Molecular dynamics Physics Quantum effects Single crystal surfaces Solid surfaces and solid-solid interfaces Surface double layers, schottky barriers, and work functions Surface energy Surface relaxation Surface structure and topography Surfaces and interfaces thin films and whiskers (structure and nonelectronic properties) Work function |
| title | Quantum-size effect in thin Al(110) slabs |
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