Supercell size scaling of density functional theory formation energies of charged defects

Supercell size scaling of density functional theory formation energies of charged defects

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2009-01, Vol.79 (2), Article 024112
Hauptverfasser: Hine, N. D. M., Frensch, K., Foulkes, W. M. C., Finnis, M. W.
Format: Artikel
Sprache:eng
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page
container_issue 2
container_start_page
container_title Physical review. B, Condensed matter and materials physics
container_volume 79
creator Hine, N. D. M.
Frensch, K.
Foulkes, W. M. C.
Finnis, M. W.
description
doi_str_mv 10.1103/PhysRevB.79.024112
format Article
fullrecord <record><control><sourceid>crossref</sourceid><recordid>TN_cdi_crossref_primary_10_1103_PhysRevB_79_024112</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>10_1103_PhysRevB_79_024112</sourcerecordid><originalsourceid>FETCH-LOGICAL-c296t-c0841a121c079203a65787bd0470488687da7cb4ed73a3a1831e00a6754741873</originalsourceid><addsrcrecordid>eNo1kNtKxDAQhoMouK6-gFd5gdaZJG3SS108wYLiAfSqZNPpQbrtknSF-vS2rF7N8PH_w_AxdokQI4K8eq7H8ELfN7HOYhAKURyxBSYJREImH8fTDpmJAAWesrMQvgBQZUos2OfrfkfeUdvy0PwQD862TVfxvuQFdaEZRl7uOzc0fWdbPtTU-4n0fmtnxKkjXzUU5ryrra-omHoluSGcs5PStoEu_uaSvd_dvq0eovXT_ePqeh05kaVD5MAotNNjDnQmQNo00UZvClAalDGp0YXVbqOo0NJKi0YiAdhUJ0orNFoumTjcdb4PwVOZ73yztX7MEfJZTv4vJ9dZfpAjfwFU1lot</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Supercell size scaling of density functional theory formation energies of charged defects</title><source>American Physical Society Journals</source><creator>Hine, N. D. M. ; Frensch, K. ; Foulkes, W. M. C. ; Finnis, M. W.</creator><creatorcontrib>Hine, N. D. M. ; Frensch, K. ; Foulkes, W. M. C. ; Finnis, M. W.</creatorcontrib><identifier>ISSN: 1098-0121</identifier><identifier>EISSN: 1550-235X</identifier><identifier>DOI: 10.1103/PhysRevB.79.024112</identifier><language>eng</language><ispartof>Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (2), Article 024112</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c296t-c0841a121c079203a65787bd0470488687da7cb4ed73a3a1831e00a6754741873</citedby><cites>FETCH-LOGICAL-c296t-c0841a121c079203a65787bd0470488687da7cb4ed73a3a1831e00a6754741873</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,2876,2877,27924,27925</link.rule.ids></links><search><creatorcontrib>Hine, N. D. M.</creatorcontrib><creatorcontrib>Frensch, K.</creatorcontrib><creatorcontrib>Foulkes, W. M. C.</creatorcontrib><creatorcontrib>Finnis, M. W.</creatorcontrib><title>Supercell size scaling of density functional theory formation energies of charged defects</title><title>Physical review. B, Condensed matter and materials physics</title><issn>1098-0121</issn><issn>1550-235X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2009</creationdate><recordtype>article</recordtype><recordid>eNo1kNtKxDAQhoMouK6-gFd5gdaZJG3SS108wYLiAfSqZNPpQbrtknSF-vS2rF7N8PH_w_AxdokQI4K8eq7H8ELfN7HOYhAKURyxBSYJREImH8fTDpmJAAWesrMQvgBQZUos2OfrfkfeUdvy0PwQD862TVfxvuQFdaEZRl7uOzc0fWdbPtTU-4n0fmtnxKkjXzUU5ryrra-omHoluSGcs5PStoEu_uaSvd_dvq0eovXT_ePqeh05kaVD5MAotNNjDnQmQNo00UZvClAalDGp0YXVbqOo0NJKi0YiAdhUJ0orNFoumTjcdb4PwVOZ73yztX7MEfJZTv4vJ9dZfpAjfwFU1lot</recordid><startdate>20090101</startdate><enddate>20090101</enddate><creator>Hine, N. D. M.</creator><creator>Frensch, K.</creator><creator>Foulkes, W. M. C.</creator><creator>Finnis, M. W.</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20090101</creationdate><title>Supercell size scaling of density functional theory formation energies of charged defects</title><author>Hine, N. D. M. ; Frensch, K. ; Foulkes, W. M. C. ; Finnis, M. W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c296t-c0841a121c079203a65787bd0470488687da7cb4ed73a3a1831e00a6754741873</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2009</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Hine, N. D. M.</creatorcontrib><creatorcontrib>Frensch, K.</creatorcontrib><creatorcontrib>Foulkes, W. M. C.</creatorcontrib><creatorcontrib>Finnis, M. W.</creatorcontrib><collection>CrossRef</collection><jtitle>Physical review. B, Condensed matter and materials physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Hine, N. D. M.</au><au>Frensch, K.</au><au>Foulkes, W. M. C.</au><au>Finnis, M. W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Supercell size scaling of density functional theory formation energies of charged defects</atitle><jtitle>Physical review. B, Condensed matter and materials physics</jtitle><date>2009-01-01</date><risdate>2009</risdate><volume>79</volume><issue>2</issue><artnum>024112</artnum><issn>1098-0121</issn><eissn>1550-235X</eissn><doi>10.1103/PhysRevB.79.024112</doi></addata></record>
fulltext fulltext
identifier ISSN: 1098-0121
ispartof Physical review. B, Condensed matter and materials physics, 2009-01, Vol.79 (2), Article 024112
issn 1098-0121
1550-235X
language eng
recordid cdi_crossref_primary_10_1103_PhysRevB_79_024112
source American Physical Society Journals
title Supercell size scaling of density functional theory formation energies of charged defects
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-05T18%3A41%3A43IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-crossref&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Supercell%20size%20scaling%20of%20density%20functional%20theory%20formation%20energies%20of%20charged%20defects&rft.jtitle=Physical%20review.%20B,%20Condensed%20matter%20and%20materials%20physics&rft.au=Hine,%20N.%20D.%20M.&rft.date=2009-01-01&rft.volume=79&rft.issue=2&rft.artnum=024112&rft.issn=1098-0121&rft.eissn=1550-235X&rft_id=info:doi/10.1103/PhysRevB.79.024112&rft_dat=%3Ccrossref%3E10_1103_PhysRevB_79_024112%3C/crossref%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true