Phase transition of Sr on Si (0 0 1): First principles prediction and experiment
The ability to understand and predict the phase diagrams of surface phases from first principles can be valuable for developing processes for growth of epitaxial structures. In the growth of epitaxial oxides on Si (0 0 1), a submonolayer phase of Sr plays a key role. The physical structure for this...
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| Veröffentlicht in: | Surface science 2010-05, Vol.604 (9), p.857-861 |
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| creator | Garrity, Kevin F. Padmore, Myrtle-Rose Segal, Yaron Reiner, J.W. Walker, F.J. Ahn, C.H. Ismail-Beigi, S. |
| description | The ability to understand and predict the phase diagrams of surface phases from first principles can be valuable for developing processes for growth of epitaxial structures. In the growth of epitaxial oxides on Si (0
0
1), a submonolayer phase of Sr plays a key role. The physical structure for this phase, which has 2
×
3 symmetry and occurs at 1/6 monolayer Sr coverage, was recently elucidated using both first principles theory and diffraction experiments [J.W. Reiner, K.F. Garrity, F.J. Walker, S. Ismail-Beigi, C.H. Ahn, Role of strontium in oxide epitaxy on silicon (0
0
1), Phys. Rev. Lett. 101 (10) (2008) 105503.]. Our approach to understanding the broader Sr/Si phase diagram combines density functional theory with a thermodynamic analysis of the phase equilibrium between a Sr lattice gas and the 2
×
3 structure. We use reflection high energy electron diffraction (RHEED) to experimentally determine the phase diagram, finding good agreement with theoretical predictions. |
| doi_str_mv | 10.1016/j.susc.2010.02.011 |
| format | Article |
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0
1), a submonolayer phase of Sr plays a key role. The physical structure for this phase, which has 2
×
3 symmetry and occurs at 1/6 monolayer Sr coverage, was recently elucidated using both first principles theory and diffraction experiments [J.W. Reiner, K.F. Garrity, F.J. Walker, S. Ismail-Beigi, C.H. Ahn, Role of strontium in oxide epitaxy on silicon (0
0
1), Phys. Rev. Lett. 101 (10) (2008) 105503.]. Our approach to understanding the broader Sr/Si phase diagram combines density functional theory with a thermodynamic analysis of the phase equilibrium between a Sr lattice gas and the 2
×
3 structure. We use reflection high energy electron diffraction (RHEED) to experimentally determine the phase diagram, finding good agreement with theoretical predictions.</description><identifier>ISSN: 0039-6028</identifier><identifier>EISSN: 1879-2758</identifier><identifier>DOI: 10.1016/j.susc.2010.02.011</identifier><identifier>CODEN: SUSCAS</identifier><language>eng</language><publisher>Kidlington: Elsevier B.V</publisher><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Cross-disciplinary physics: materials science; rheology ; Density functional ; Density functional theory ; Diffraction ; Epitaxial growth ; Epitaxy ; Exact sciences and technology ; Grand canonical Monte Carlo ; Lattice gas ; Monte Carlo ; Oxides ; Phase diagrams ; Physics ; Reflection ; RHEED ; Silicon ; Strontium</subject><ispartof>Surface science, 2010-05, Vol.604 (9), p.857-861</ispartof><rights>2010 Elsevier B.V.</rights><rights>2015 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c362t-b49095ec589b1c923a7a8e68f5228b9c555118c49efbaa13072a5b2fd8bc34e63</citedby><cites>FETCH-LOGICAL-c362t-b49095ec589b1c923a7a8e68f5228b9c555118c49efbaa13072a5b2fd8bc34e63</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/j.susc.2010.02.011$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>315,782,786,3554,27933,27934,46004</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=22637254$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Garrity, Kevin F.</creatorcontrib><creatorcontrib>Padmore, Myrtle-Rose</creatorcontrib><creatorcontrib>Segal, Yaron</creatorcontrib><creatorcontrib>Reiner, J.W.</creatorcontrib><creatorcontrib>Walker, F.J.</creatorcontrib><creatorcontrib>Ahn, C.H.</creatorcontrib><creatorcontrib>Ismail-Beigi, S.</creatorcontrib><title>Phase transition of Sr on Si (0 0 1): First principles prediction and experiment</title><title>Surface science</title><description>The ability to understand and predict the phase diagrams of surface phases from first principles can be valuable for developing processes for growth of epitaxial structures. In the growth of epitaxial oxides on Si (0
0
1), a submonolayer phase of Sr plays a key role. The physical structure for this phase, which has 2
×
3 symmetry and occurs at 1/6 monolayer Sr coverage, was recently elucidated using both first principles theory and diffraction experiments [J.W. Reiner, K.F. Garrity, F.J. Walker, S. Ismail-Beigi, C.H. Ahn, Role of strontium in oxide epitaxy on silicon (0
0
1), Phys. Rev. Lett. 101 (10) (2008) 105503.]. Our approach to understanding the broader Sr/Si phase diagram combines density functional theory with a thermodynamic analysis of the phase equilibrium between a Sr lattice gas and the 2
×
3 structure. We use reflection high energy electron diffraction (RHEED) to experimentally determine the phase diagram, finding good agreement with theoretical predictions.</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>Density functional</subject><subject>Density functional theory</subject><subject>Diffraction</subject><subject>Epitaxial growth</subject><subject>Epitaxy</subject><subject>Exact sciences and technology</subject><subject>Grand canonical Monte Carlo</subject><subject>Lattice gas</subject><subject>Monte Carlo</subject><subject>Oxides</subject><subject>Phase diagrams</subject><subject>Physics</subject><subject>Reflection</subject><subject>RHEED</subject><subject>Silicon</subject><subject>Strontium</subject><issn>0039-6028</issn><issn>1879-2758</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2010</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LAzEQxYMoWP98AU-5iHrYmsxudhPxImJVECxUzyGbzmLKdrdmtqLf3tSKR-cyw_DeDO_H2IkUYylkebkY05r8GERaCBgLKXfYSOrKZFApvctGQuQmKwXofXZAtBCpCqNGbDp9c4R8iK6jMIS-433DZ5GnYRb4ueCCy4srPgmRBr6KofNh1SKlEefB_xhcN-f4ucIYltgNR2yvcS3h8W8_ZK-Tu5fbh-zp-f7x9uYp83kJQ1YXRhiFXmlTS28gd5XTWOpGAejaeKWUlNoXBpvaOZmLCpyqoZnr2ucFlvkhO9veXcX-fY002GUgj23rOuzXZCuVV0WhAZIStkofe6KIjU05li5-WSnshp5d2A09u6FnBdhEL5lOf8878q5tEh8f6M8JUOYVqCLprrc6TFk_AkZLPmDnE52IfrDzPvz35htGIYPv</recordid><startdate>20100515</startdate><enddate>20100515</enddate><creator>Garrity, Kevin F.</creator><creator>Padmore, Myrtle-Rose</creator><creator>Segal, Yaron</creator><creator>Reiner, J.W.</creator><creator>Walker, F.J.</creator><creator>Ahn, C.H.</creator><creator>Ismail-Beigi, S.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20100515</creationdate><title>Phase transition of Sr on Si (0 0 1): First principles prediction and experiment</title><author>Garrity, Kevin F. ; Padmore, Myrtle-Rose ; Segal, Yaron ; Reiner, J.W. ; Walker, F.J. ; Ahn, C.H. ; Ismail-Beigi, S.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c362t-b49095ec589b1c923a7a8e68f5228b9c555118c49efbaa13072a5b2fd8bc34e63</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2010</creationdate><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Cross-disciplinary physics: materials science; rheology</topic><topic>Density functional</topic><topic>Density functional theory</topic><topic>Diffraction</topic><topic>Epitaxial growth</topic><topic>Epitaxy</topic><topic>Exact sciences and technology</topic><topic>Grand canonical Monte Carlo</topic><topic>Lattice gas</topic><topic>Monte Carlo</topic><topic>Oxides</topic><topic>Phase diagrams</topic><topic>Physics</topic><topic>Reflection</topic><topic>RHEED</topic><topic>Silicon</topic><topic>Strontium</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Garrity, Kevin F.</creatorcontrib><creatorcontrib>Padmore, Myrtle-Rose</creatorcontrib><creatorcontrib>Segal, Yaron</creatorcontrib><creatorcontrib>Reiner, J.W.</creatorcontrib><creatorcontrib>Walker, F.J.</creatorcontrib><creatorcontrib>Ahn, C.H.</creatorcontrib><creatorcontrib>Ismail-Beigi, S.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Surface science</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Garrity, Kevin F.</au><au>Padmore, Myrtle-Rose</au><au>Segal, Yaron</au><au>Reiner, J.W.</au><au>Walker, F.J.</au><au>Ahn, C.H.</au><au>Ismail-Beigi, S.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Phase transition of Sr on Si (0 0 1): First principles prediction and experiment</atitle><jtitle>Surface science</jtitle><date>2010-05-15</date><risdate>2010</risdate><volume>604</volume><issue>9</issue><spage>857</spage><epage>861</epage><pages>857-861</pages><issn>0039-6028</issn><eissn>1879-2758</eissn><coden>SUSCAS</coden><abstract>The ability to understand and predict the phase diagrams of surface phases from first principles can be valuable for developing processes for growth of epitaxial structures. In the growth of epitaxial oxides on Si (0
0
1), a submonolayer phase of Sr plays a key role. The physical structure for this phase, which has 2
×
3 symmetry and occurs at 1/6 monolayer Sr coverage, was recently elucidated using both first principles theory and diffraction experiments [J.W. Reiner, K.F. Garrity, F.J. Walker, S. Ismail-Beigi, C.H. Ahn, Role of strontium in oxide epitaxy on silicon (0
0
1), Phys. Rev. Lett. 101 (10) (2008) 105503.]. Our approach to understanding the broader Sr/Si phase diagram combines density functional theory with a thermodynamic analysis of the phase equilibrium between a Sr lattice gas and the 2
×
3 structure. We use reflection high energy electron diffraction (RHEED) to experimentally determine the phase diagram, finding good agreement with theoretical predictions.</abstract><cop>Kidlington</cop><pub>Elsevier B.V</pub><doi>10.1016/j.susc.2010.02.011</doi><tpages>5</tpages></addata></record> |
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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 Density functional Density functional theory Diffraction Epitaxial growth Epitaxy Exact sciences and technology Grand canonical Monte Carlo Lattice gas Monte Carlo Oxides Phase diagrams Physics Reflection RHEED Silicon Strontium |
| title | Phase transition of Sr on Si (0 0 1): First principles prediction and experiment |
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