Electronic structure calculations of europium chalcogenides EuS and EuSe
We have performed ab‐initio self‐consistent calculations on the full‐potential linear muffin‐tin orbital method with the local‐density approximation and local spin‐density approximation to investigate the structural and electronic properties of EuS and EuSe in its stable (NaCl‐B1) and high‐pressure...
Gespeichert in:
| Veröffentlicht in: | Physica Status Solidi (b) 2007-06, Vol.244 (6), p.1988-1996 |
|---|---|
| Hauptverfasser: | , , , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | 1996 |
|---|---|
| container_issue | 6 |
| container_start_page | 1988 |
| container_title | Physica Status Solidi (b) |
| container_volume | 244 |
| creator | Rached, D. Ameri, M. Rabah, M. Khenata, R. Bouhemadou, A. Benkhettou, N. Dine el Hannani, M. |
| description | We have performed ab‐initio self‐consistent calculations on the full‐potential linear muffin‐tin orbital method with the local‐density approximation and local spin‐density approximation to investigate the structural and electronic properties of EuS and EuSe in its stable (NaCl‐B1) and high‐pressure phases. The magnetic phase stability was determined from the total energy calculations for both the nonmagnetic (NM) and magnetic (M) phases. These theoretical calculations clearly indicate that both at ambient and high pressures, the magnetic phase is more stable than the nonmagnetic phase. The transition pressure at which these compounds undergo the structural phase transition from NaCl‐B1 to CsCl‐B2 phase is calculated. The elastic constants at equilibrium in both NaCl‐B1 and CsCl‐B2 structures are also determined. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) |
| doi_str_mv | 10.1002/pssb.200642450 |
| format | Article |
| fullrecord | <record><control><sourceid>proquest_cross</sourceid><recordid>TN_cdi_proquest_miscellaneous_29969483</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>29969483</sourcerecordid><originalsourceid>FETCH-LOGICAL-c4540-284588a501afbefd34f514d4b80eb477192cde04bab6b0b73b8772851e3ad1323</originalsourceid><addsrcrecordid>eNqFkE1P3DAQhi1UJLbQK-dc4Jbt-Ct2joAWtgXRStuqFRfLdibgNpssdqLCv2-iIOitpznM-7wzegg5prCkAOzjLiW3ZACFYELCHllQyWjOS0nfkQVwBTktFTsg71P6BQCKcrog61WDvo9dG3yW-jj4foiYedv4obF96NqUdXWGQ-x2Ydhm_mHcdPfYhgpTtho2mW2raeIR2a9tk_DDyzwk3y9X3y7W-c2Xq08XZze5F1JAzrSQWlsJ1NYO64qLWlJRCacBnVCKlsxXCMJZVzhwijutFNOSIrcV5YwfktO5dxe7xwFTb7YheWwa22I3JMPKsiiF5mNwOQd97FKKWJtdDFsbnw0FMwkzkzDzKmwETl6abRoF1NG2PqQ3SmvQUk4flHPuT2jw-T-t5utmc_7vjXxmQ-rx6ZW18bcpFFfS_Li9MvQzvf65vgZzx_8CB-WLyw</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>29969483</pqid></control><display><type>article</type><title>Electronic structure calculations of europium chalcogenides EuS and EuSe</title><source>Wiley Online Library Journals Frontfile Complete</source><creator>Rached, D. ; Ameri, M. ; Rabah, M. ; Khenata, R. ; Bouhemadou, A. ; Benkhettou, N. ; Dine el Hannani, M.</creator><creatorcontrib>Rached, D. ; Ameri, M. ; Rabah, M. ; Khenata, R. ; Bouhemadou, A. ; Benkhettou, N. ; Dine el Hannani, M.</creatorcontrib><description>We have performed ab‐initio self‐consistent calculations on the full‐potential linear muffin‐tin orbital method with the local‐density approximation and local spin‐density approximation to investigate the structural and electronic properties of EuS and EuSe in its stable (NaCl‐B1) and high‐pressure phases. The magnetic phase stability was determined from the total energy calculations for both the nonmagnetic (NM) and magnetic (M) phases. These theoretical calculations clearly indicate that both at ambient and high pressures, the magnetic phase is more stable than the nonmagnetic phase. The transition pressure at which these compounds undergo the structural phase transition from NaCl‐B1 to CsCl‐B2 phase is calculated. The elastic constants at equilibrium in both NaCl‐B1 and CsCl‐B2 structures are also determined. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)</description><identifier>ISSN: 0370-1972</identifier><identifier>EISSN: 1521-3951</identifier><identifier>DOI: 10.1002/pssb.200642450</identifier><identifier>CODEN: PSSBBD</identifier><language>eng</language><publisher>Berlin: WILEY-VCH Verlag</publisher><subject>61.50.Ks ; 62.20.Dc ; 71.15.Ap ; 71.20.Nr ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Electron density of states and band structure of crystalline solids ; Electron states ; Exact sciences and technology ; Physics ; Semiconductor compounds</subject><ispartof>Physica Status Solidi (b), 2007-06, Vol.244 (6), p.1988-1996</ispartof><rights>Copyright © 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim</rights><rights>2007 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c4540-284588a501afbefd34f514d4b80eb477192cde04bab6b0b73b8772851e3ad1323</citedby><cites>FETCH-LOGICAL-c4540-284588a501afbefd34f514d4b80eb477192cde04bab6b0b73b8772851e3ad1323</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://onlinelibrary.wiley.com/doi/pdf/10.1002%2Fpssb.200642450$$EPDF$$P50$$Gwiley$$H</linktopdf><linktohtml>$$Uhttps://onlinelibrary.wiley.com/doi/full/10.1002%2Fpssb.200642450$$EHTML$$P50$$Gwiley$$H</linktohtml><link.rule.ids>314,776,780,1411,27903,27904,45553,45554</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=18808552$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Rached, D.</creatorcontrib><creatorcontrib>Ameri, M.</creatorcontrib><creatorcontrib>Rabah, M.</creatorcontrib><creatorcontrib>Khenata, R.</creatorcontrib><creatorcontrib>Bouhemadou, A.</creatorcontrib><creatorcontrib>Benkhettou, N.</creatorcontrib><creatorcontrib>Dine el Hannani, M.</creatorcontrib><title>Electronic structure calculations of europium chalcogenides EuS and EuSe</title><title>Physica Status Solidi (b)</title><addtitle>phys. stat. sol. (b)</addtitle><description>We have performed ab‐initio self‐consistent calculations on the full‐potential linear muffin‐tin orbital method with the local‐density approximation and local spin‐density approximation to investigate the structural and electronic properties of EuS and EuSe in its stable (NaCl‐B1) and high‐pressure phases. The magnetic phase stability was determined from the total energy calculations for both the nonmagnetic (NM) and magnetic (M) phases. These theoretical calculations clearly indicate that both at ambient and high pressures, the magnetic phase is more stable than the nonmagnetic phase. The transition pressure at which these compounds undergo the structural phase transition from NaCl‐B1 to CsCl‐B2 phase is calculated. The elastic constants at equilibrium in both NaCl‐B1 and CsCl‐B2 structures are also determined. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)</description><subject>61.50.Ks</subject><subject>62.20.Dc</subject><subject>71.15.Ap</subject><subject>71.20.Nr</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Electron density of states and band structure of crystalline solids</subject><subject>Electron states</subject><subject>Exact sciences and technology</subject><subject>Physics</subject><subject>Semiconductor compounds</subject><issn>0370-1972</issn><issn>1521-3951</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2007</creationdate><recordtype>article</recordtype><recordid>eNqFkE1P3DAQhi1UJLbQK-dc4Jbt-Ct2joAWtgXRStuqFRfLdibgNpssdqLCv2-iIOitpznM-7wzegg5prCkAOzjLiW3ZACFYELCHllQyWjOS0nfkQVwBTktFTsg71P6BQCKcrog61WDvo9dG3yW-jj4foiYedv4obF96NqUdXWGQ-x2Ydhm_mHcdPfYhgpTtho2mW2raeIR2a9tk_DDyzwk3y9X3y7W-c2Xq08XZze5F1JAzrSQWlsJ1NYO64qLWlJRCacBnVCKlsxXCMJZVzhwijutFNOSIrcV5YwfktO5dxe7xwFTb7YheWwa22I3JMPKsiiF5mNwOQd97FKKWJtdDFsbnw0FMwkzkzDzKmwETl6abRoF1NG2PqQ3SmvQUk4flHPuT2jw-T-t5utmc_7vjXxmQ-rx6ZW18bcpFFfS_Li9MvQzvf65vgZzx_8CB-WLyw</recordid><startdate>200706</startdate><enddate>200706</enddate><creator>Rached, D.</creator><creator>Ameri, M.</creator><creator>Rabah, M.</creator><creator>Khenata, R.</creator><creator>Bouhemadou, A.</creator><creator>Benkhettou, N.</creator><creator>Dine el Hannani, M.</creator><general>WILEY-VCH Verlag</general><general>WILEY‐VCH Verlag</general><general>Wiley</general><scope>BSCLL</scope><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>L7M</scope></search><sort><creationdate>200706</creationdate><title>Electronic structure calculations of europium chalcogenides EuS and EuSe</title><author>Rached, D. ; Ameri, M. ; Rabah, M. ; Khenata, R. ; Bouhemadou, A. ; Benkhettou, N. ; Dine el Hannani, M.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c4540-284588a501afbefd34f514d4b80eb477192cde04bab6b0b73b8772851e3ad1323</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2007</creationdate><topic>61.50.Ks</topic><topic>62.20.Dc</topic><topic>71.15.Ap</topic><topic>71.20.Nr</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Electron density of states and band structure of crystalline solids</topic><topic>Electron states</topic><topic>Exact sciences and technology</topic><topic>Physics</topic><topic>Semiconductor compounds</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Rached, D.</creatorcontrib><creatorcontrib>Ameri, M.</creatorcontrib><creatorcontrib>Rabah, M.</creatorcontrib><creatorcontrib>Khenata, R.</creatorcontrib><creatorcontrib>Bouhemadou, A.</creatorcontrib><creatorcontrib>Benkhettou, N.</creatorcontrib><creatorcontrib>Dine el Hannani, M.</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physica Status Solidi (b)</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Rached, D.</au><au>Ameri, M.</au><au>Rabah, M.</au><au>Khenata, R.</au><au>Bouhemadou, A.</au><au>Benkhettou, N.</au><au>Dine el Hannani, M.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Electronic structure calculations of europium chalcogenides EuS and EuSe</atitle><jtitle>Physica Status Solidi (b)</jtitle><addtitle>phys. stat. sol. (b)</addtitle><date>2007-06</date><risdate>2007</risdate><volume>244</volume><issue>6</issue><spage>1988</spage><epage>1996</epage><pages>1988-1996</pages><issn>0370-1972</issn><eissn>1521-3951</eissn><coden>PSSBBD</coden><abstract>We have performed ab‐initio self‐consistent calculations on the full‐potential linear muffin‐tin orbital method with the local‐density approximation and local spin‐density approximation to investigate the structural and electronic properties of EuS and EuSe in its stable (NaCl‐B1) and high‐pressure phases. The magnetic phase stability was determined from the total energy calculations for both the nonmagnetic (NM) and magnetic (M) phases. These theoretical calculations clearly indicate that both at ambient and high pressures, the magnetic phase is more stable than the nonmagnetic phase. The transition pressure at which these compounds undergo the structural phase transition from NaCl‐B1 to CsCl‐B2 phase is calculated. The elastic constants at equilibrium in both NaCl‐B1 and CsCl‐B2 structures are also determined. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)</abstract><cop>Berlin</cop><pub>WILEY-VCH Verlag</pub><doi>10.1002/pssb.200642450</doi><tpages>9</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0370-1972 |
| ispartof | Physica Status Solidi (b), 2007-06, Vol.244 (6), p.1988-1996 |
| issn | 0370-1972 1521-3951 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_29969483 |
| source | Wiley Online Library Journals Frontfile Complete |
| subjects | 61.50.Ks 62.20.Dc 71.15.Ap 71.20.Nr Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron density of states and band structure of crystalline solids Electron states Exact sciences and technology Physics Semiconductor compounds |
| title | Electronic structure calculations of europium chalcogenides EuS and EuSe |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-25T07%3A28%3A50IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest_cross&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Electronic%20structure%20calculations%20of%20europium%20chalcogenides%20EuS%20and%20EuSe&rft.jtitle=Physica%20Status%20Solidi%20(b)&rft.au=Rached,%20D.&rft.date=2007-06&rft.volume=244&rft.issue=6&rft.spage=1988&rft.epage=1996&rft.pages=1988-1996&rft.issn=0370-1972&rft.eissn=1521-3951&rft.coden=PSSBBD&rft_id=info:doi/10.1002/pssb.200642450&rft_dat=%3Cproquest_cross%3E29969483%3C/proquest_cross%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=29969483&rft_id=info:pmid/&rfr_iscdi=true |