Structural and electronic properties of SrS, SrSe, and SrTe under pressure
The electronic band structure and the total energy of SrX (X identical with S, Se, Te) in NaCl-type and CsCl-type structures were studied using the tight binding linear muffin-tin orbital method. The calculated ground state properties such as lattice constant and bulk modulus are in agreement with t...
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| Veröffentlicht in: | Journal of Low Temperature Physics 1998-08, Vol.112 (3-4), p.211-226 |
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| container_end_page | 226 |
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| container_issue | 3-4 |
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| container_title | Journal of Low Temperature Physics |
| container_volume | 112 |
| creator | SHAMEEM BANU, I. B RAJAGOPALAN, M PALANIVEL, B KALPANA, G SHENBAGARAMAN, P |
| description | The electronic band structure and the total energy of SrX (X identical with S, Se, Te) in NaCl-type and CsCl-type structures were studied using the tight binding linear muffin-tin orbital method. The calculated ground state properties such as lattice constant and bulk modulus are in agreement with the experimental values. The transition pressures and volumes also agree well with the experimental results. The energy gap at ambient conditions were calculated. The metallization pressures and volumes have also been estimated. |
| doi_str_mv | 10.1023/A:1022685715644 |
| format | Article |
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The metallization pressures and volumes have also been estimated.</description><identifier>ISSN: 0022-2291</identifier><identifier>EISSN: 1573-7357</identifier><identifier>DOI: 10.1023/A:1022685715644</identifier><identifier>CODEN: JLTPAC</identifier><language>eng</language><publisher>Heidelberg: Springer</publisher><subject>BAND THEORY ; Binding energy ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; CRYSTAL STRUCTURE ; Elastic moduli ; Electron density of states and band structure of crystalline solids ; Electron states ; ELECTRONIC STRUCTURE ; ENERGY GAP ; Exact sciences and technology ; LATTICE PARAMETERS ; MATERIALS SCIENCE ; Metal-insulator transitions and other electronic transitions ; Methods of electronic structure calculations ; Phase transitions ; Physics ; Pressure effects ; SELENIDES ; Semiconductor compounds ; STRONTIUM COMPOUNDS ; SULFIDES ; TELLURIDES ; THEORETICAL DATA ; Theories and models of many electron systems</subject><ispartof>Journal of Low Temperature Physics, 1998-08, Vol.112 (3-4), p.211-226</ispartof><rights>1998 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c317t-df6dd18071b8602f347358252ef07acae6413451d6990a9bb3ab0863bf33d70b3</citedby></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>315,781,785,886,27929,27930</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=2368969$$DView record in Pascal Francis$$Hfree_for_read</backlink><backlink>$$Uhttps://www.osti.gov/biblio/653457$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>SHAMEEM BANU, I. 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B</au><au>RAJAGOPALAN, M</au><au>PALANIVEL, B</au><au>KALPANA, G</au><au>SHENBAGARAMAN, P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural and electronic properties of SrS, SrSe, and SrTe under pressure</atitle><jtitle>Journal of Low Temperature Physics</jtitle><date>1998-08-01</date><risdate>1998</risdate><volume>112</volume><issue>3-4</issue><spage>211</spage><epage>226</epage><pages>211-226</pages><issn>0022-2291</issn><eissn>1573-7357</eissn><coden>JLTPAC</coden><abstract>The electronic band structure and the total energy of SrX (X identical with S, Se, Te) in NaCl-type and CsCl-type structures were studied using the tight binding linear muffin-tin orbital method. The calculated ground state properties such as lattice constant and bulk modulus are in agreement with the experimental values. The transition pressures and volumes also agree well with the experimental results. The energy gap at ambient conditions were calculated. The metallization pressures and volumes have also been estimated.</abstract><cop>Heidelberg</cop><pub>Springer</pub><doi>10.1023/A:1022685715644</doi><tpages>16</tpages></addata></record> |
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| ispartof | Journal of Low Temperature Physics, 1998-08, Vol.112 (3-4), p.211-226 |
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| language | eng |
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| source | SpringerNature Journals |
| subjects | BAND THEORY Binding energy Condensed matter: electronic structure, electrical, magnetic, and optical properties CRYSTAL STRUCTURE Elastic moduli Electron density of states and band structure of crystalline solids Electron states ELECTRONIC STRUCTURE ENERGY GAP Exact sciences and technology LATTICE PARAMETERS MATERIALS SCIENCE Metal-insulator transitions and other electronic transitions Methods of electronic structure calculations Phase transitions Physics Pressure effects SELENIDES Semiconductor compounds STRONTIUM COMPOUNDS SULFIDES TELLURIDES THEORETICAL DATA Theories and models of many electron systems |
| title | Structural and electronic properties of SrS, SrSe, and SrTe under pressure |
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