Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys

Using first-principles mean-field alloy theory, we calculate the vacancy formation energies of the face-centered-cubic Pd-Ag alloys as a function of chemical composition. The effect of Fermi surface topological transition on the composition dependence of the vacancy formation energies is detectable...

Full description

Saved in:
Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-12, Vol.92 (22), Article 224107
Main Authors: Delczeg-Czirjak, E. K., Delczeg, L., Vitos, L., Eriksson, O.
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
cited_by cdi_FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003
cites cdi_FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003
container_end_page
container_issue 22
container_start_page
container_title Physical review. B, Condensed matter and materials physics
container_volume 92
creator Delczeg-Czirjak, E. K.
Delczeg, L.
Vitos, L.
Eriksson, O.
description Using first-principles mean-field alloy theory, we calculate the vacancy formation energies of the face-centered-cubic Pd-Ag alloys as a function of chemical composition. The effect of Fermi surface topological transition on the composition dependence of the vacancy formation energies is detectable and is consistent with what has previously been shown for the bulk properties of Pd1-xAgx.
doi_str_mv 10.1103/PhysRevB.92.224107
format article
fullrecord <record><control><sourceid>swepub_cross</sourceid><recordid>TN_cdi_swepub_primary_oai_DiVA_org_uu_272065</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>oai_DiVA_org_kth_180217</sourcerecordid><originalsourceid>FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003</originalsourceid><addsrcrecordid>eNqFkEFOwzAURCMEEqVwAVY-ACnfdhwny1IoIBVRIUDdWT-O0xrSuLKTotyeVgW2rGYWb2bxouiSwohS4NfzVR9ezPZmlLMRYwkFeRQNqBAQMy4Wx7sOeRYDZfQ0OgvhA4AmecIG0eLJNW6LGhvdk8r5NbbWNcQ0xi-tCQSbkkyNX1sSOl-hNqR1G1e7pdVYk9ZjE-x-EYhtyLyMx0uCde36cB6dVFgHc_GTw-htevc6eYhnz_ePk_Es1lyINk51BhpNChkWuuQCTAmJNAwLU8o0A8gM0zrjheS0AlFxI1FWuUFdITIAPoyuDr_hy2y6Qm28XaPvlUOrbu37WDm_VF2nmGSQih0e_49_titFM2BU7nh24LV3IXhT_S0oqL169ate5Uwd1PNvIg972Q</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys</title><source>American Physical Society:Jisc Collections:APS Read and Publish 2023-2025 (reading list)</source><creator>Delczeg-Czirjak, E. K. ; Delczeg, L. ; Vitos, L. ; Eriksson, O.</creator><creatorcontrib>Delczeg-Czirjak, E. K. ; Delczeg, L. ; Vitos, L. ; Eriksson, O.</creatorcontrib><description>Using first-principles mean-field alloy theory, we calculate the vacancy formation energies of the face-centered-cubic Pd-Ag alloys as a function of chemical composition. The effect of Fermi surface topological transition on the composition dependence of the vacancy formation energies is detectable and is consistent with what has previously been shown for the bulk properties of Pd1-xAgx.</description><identifier>ISSN: 1098-0121</identifier><identifier>ISSN: 1550-235X</identifier><identifier>EISSN: 1550-235X</identifier><identifier>DOI: 10.1103/PhysRevB.92.224107</identifier><language>eng</language><ispartof>Physical review. B, Condensed matter and materials physics, 2015-12, Vol.92 (22), Article 224107</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003</citedby><cites>FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27924,27925</link.rule.ids><backlink>$$Uhttps://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-180217$$DView record from Swedish Publication Index$$Hfree_for_read</backlink><backlink>$$Uhttps://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-272065$$DView record from Swedish Publication Index$$Hfree_for_read</backlink></links><search><creatorcontrib>Delczeg-Czirjak, E. K.</creatorcontrib><creatorcontrib>Delczeg, L.</creatorcontrib><creatorcontrib>Vitos, L.</creatorcontrib><creatorcontrib>Eriksson, O.</creatorcontrib><title>Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys</title><title>Physical review. B, Condensed matter and materials physics</title><description>Using first-principles mean-field alloy theory, we calculate the vacancy formation energies of the face-centered-cubic Pd-Ag alloys as a function of chemical composition. The effect of Fermi surface topological transition on the composition dependence of the vacancy formation energies is detectable and is consistent with what has previously been shown for the bulk properties of Pd1-xAgx.</description><issn>1098-0121</issn><issn>1550-235X</issn><issn>1550-235X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2015</creationdate><recordtype>article</recordtype><recordid>eNqFkEFOwzAURCMEEqVwAVY-ACnfdhwny1IoIBVRIUDdWT-O0xrSuLKTotyeVgW2rGYWb2bxouiSwohS4NfzVR9ezPZmlLMRYwkFeRQNqBAQMy4Wx7sOeRYDZfQ0OgvhA4AmecIG0eLJNW6LGhvdk8r5NbbWNcQ0xi-tCQSbkkyNX1sSOl-hNqR1G1e7pdVYk9ZjE-x-EYhtyLyMx0uCde36cB6dVFgHc_GTw-htevc6eYhnz_ePk_Es1lyINk51BhpNChkWuuQCTAmJNAwLU8o0A8gM0zrjheS0AlFxI1FWuUFdITIAPoyuDr_hy2y6Qm28XaPvlUOrbu37WDm_VF2nmGSQih0e_49_titFM2BU7nh24LV3IXhT_S0oqL169ate5Uwd1PNvIg972Q</recordid><startdate>20151210</startdate><enddate>20151210</enddate><creator>Delczeg-Czirjak, E. K.</creator><creator>Delczeg, L.</creator><creator>Vitos, L.</creator><creator>Eriksson, O.</creator><scope>AAYXX</scope><scope>CITATION</scope><scope>ADTPV</scope><scope>AOWAS</scope><scope>D8V</scope><scope>DF2</scope></search><sort><creationdate>20151210</creationdate><title>Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys</title><author>Delczeg-Czirjak, E. K. ; Delczeg, L. ; Vitos, L. ; Eriksson, O.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2015</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Delczeg-Czirjak, E. K.</creatorcontrib><creatorcontrib>Delczeg, L.</creatorcontrib><creatorcontrib>Vitos, L.</creatorcontrib><creatorcontrib>Eriksson, O.</creatorcontrib><collection>CrossRef</collection><collection>SwePub</collection><collection>SwePub Articles</collection><collection>SWEPUB Kungliga Tekniska Högskolan</collection><collection>SWEPUB Uppsala universitet</collection><jtitle>Physical review. B, Condensed matter and materials physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Delczeg-Czirjak, E. K.</au><au>Delczeg, L.</au><au>Vitos, L.</au><au>Eriksson, O.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys</atitle><jtitle>Physical review. B, Condensed matter and materials physics</jtitle><date>2015-12-10</date><risdate>2015</risdate><volume>92</volume><issue>22</issue><artnum>224107</artnum><issn>1098-0121</issn><issn>1550-235X</issn><eissn>1550-235X</eissn><abstract>Using first-principles mean-field alloy theory, we calculate the vacancy formation energies of the face-centered-cubic Pd-Ag alloys as a function of chemical composition. The effect of Fermi surface topological transition on the composition dependence of the vacancy formation energies is detectable and is consistent with what has previously been shown for the bulk properties of Pd1-xAgx.</abstract><doi>10.1103/PhysRevB.92.224107</doi></addata></record>
fulltext fulltext
identifier ISSN: 1098-0121
ispartof Physical review. B, Condensed matter and materials physics, 2015-12, Vol.92 (22), Article 224107
issn 1098-0121
1550-235X
1550-235X
language eng
recordid cdi_swepub_primary_oai_DiVA_org_uu_272065
source American Physical Society:Jisc Collections:APS Read and Publish 2023-2025 (reading list)
title Monovacancy formation energies and Fermi surface topological transitions in Pd-Ag alloys
url http://sfxeu10.hosted.exlibrisgroup.com/loughborough?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2024-12-29T05%3A22%3A24IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-swepub_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Monovacancy%20formation%20energies%20and%20Fermi%20surface%20topological%20transitions%20in%20Pd-Ag%20alloys&rft.jtitle=Physical%20review.%20B,%20Condensed%20matter%20and%20materials%20physics&rft.au=Delczeg-Czirjak,%20E.%20K.&rft.date=2015-12-10&rft.volume=92&rft.issue=22&rft.artnum=224107&rft.issn=1098-0121&rft.eissn=1550-235X&rft_id=info:doi/10.1103/PhysRevB.92.224107&rft_dat=%3Cswepub_cross%3Eoai_DiVA_org_kth_180217%3C/swepub_cross%3E%3Cgrp_id%3Ecdi_FETCH-LOGICAL-c355t-6c80cae608abcd350ed047e2abed768008e2cc83b731f05f3e7a7f9eacfaa2003%3C/grp_id%3E%3Coa%3E%3C/oa%3E%3Curl%3E%3C/url%3E&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true