Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems
Te-based alloys are widely used for Phase Change Random Access Memory (PCRAM). The investigation of the Te-based phase diagram gives significant benefit to the development of Te-based PCRAM materials. Thermodynamic modelling of the Te-X (X = Cu, Ga, Li, Sr) systems has been carried out using the CAL...
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| Veröffentlicht in: | Journal of phase equilibria and diffusion 2022-04, Vol.43 (2), p.193-213 |
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| creator | Yu, Shangzhao Wang, Jiong Cui, Dongyu Chen, Shanxiong Wu, Qing Du, Yong |
| description | Te-based alloys are widely used for Phase Change Random Access Memory (PCRAM). The investigation of the Te-based phase diagram gives significant benefit to the development of Te-based PCRAM materials. Thermodynamic modelling of the Te-X (X = Cu, Ga, Li, Sr) systems has been carried out using the CALculation of PHAse Diagrams (CALPHAD) method based on the enthalpies of formation calculated by first-principles calculations in the present work and available experimental data in the literature. In the Te-Cu, Te-Ga and Te-Li systems, the liquid phases were separately described by the associated solution model with Cu
2
Te, Ga
2
Te
3
and Li
2
Te associate species. A set of self-consistent thermodynamic parameters for the Te-X (X = Cu, Ga, Li, Sr) systems was obtained. Comparison between the calculated results and available experimental data indicates that most experimental information can be satisfactorily accounted for by modelling. |
| doi_str_mv | 10.1007/s11669-022-00950-z |
| format | Article |
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2
Te, Ga
2
Te
3
and Li
2
Te associate species. A set of self-consistent thermodynamic parameters for the Te-X (X = Cu, Ga, Li, Sr) systems was obtained. Comparison between the calculated results and available experimental data indicates that most experimental information can be satisfactorily accounted for by modelling.</description><identifier>ISSN: 1547-7037</identifier><identifier>EISSN: 1863-7345</identifier><identifier>EISSN: 1934-7243</identifier><identifier>DOI: 10.1007/s11669-022-00950-z</identifier><language>eng</language><publisher>New York: Springer US</publisher><subject>Ceramics ; Composites ; Crystallography and Scattering Methods ; Engineering Thermodynamics ; Enthalpy ; First principles ; Glass ; Heat and Mass Transfer ; Liquid phases ; Metallic Materials ; Modelling ; Natural Materials ; Phase diagrams ; Physics ; Physics and Astronomy ; Random access memory ; Tellurium ; Thermodynamic models ; Thermodynamics</subject><ispartof>Journal of phase equilibria and diffusion, 2022-04, Vol.43 (2), p.193-213</ispartof><rights>ASM International 2022. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c319t-77c7b93457d629365fcc4283e4ecb36cf1432ae39acd01d01ba2540cb2d358d33</citedby><cites>FETCH-LOGICAL-c319t-77c7b93457d629365fcc4283e4ecb36cf1432ae39acd01d01ba2540cb2d358d33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11669-022-00950-z$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11669-022-00950-z$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27923,27924,41487,42556,51318</link.rule.ids></links><search><creatorcontrib>Yu, Shangzhao</creatorcontrib><creatorcontrib>Wang, Jiong</creatorcontrib><creatorcontrib>Cui, Dongyu</creatorcontrib><creatorcontrib>Chen, Shanxiong</creatorcontrib><creatorcontrib>Wu, Qing</creatorcontrib><creatorcontrib>Du, Yong</creatorcontrib><title>Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems</title><title>Journal of phase equilibria and diffusion</title><addtitle>J. Phase Equilib. Diffus</addtitle><description>Te-based alloys are widely used for Phase Change Random Access Memory (PCRAM). The investigation of the Te-based phase diagram gives significant benefit to the development of Te-based PCRAM materials. Thermodynamic modelling of the Te-X (X = Cu, Ga, Li, Sr) systems has been carried out using the CALculation of PHAse Diagrams (CALPHAD) method based on the enthalpies of formation calculated by first-principles calculations in the present work and available experimental data in the literature. In the Te-Cu, Te-Ga and Te-Li systems, the liquid phases were separately described by the associated solution model with Cu
2
Te, Ga
2
Te
3
and Li
2
Te associate species. A set of self-consistent thermodynamic parameters for the Te-X (X = Cu, Ga, Li, Sr) systems was obtained. Comparison between the calculated results and available experimental data indicates that most experimental information can be satisfactorily accounted for by modelling.</description><subject>Ceramics</subject><subject>Composites</subject><subject>Crystallography and Scattering Methods</subject><subject>Engineering Thermodynamics</subject><subject>Enthalpy</subject><subject>First principles</subject><subject>Glass</subject><subject>Heat and Mass Transfer</subject><subject>Liquid phases</subject><subject>Metallic Materials</subject><subject>Modelling</subject><subject>Natural Materials</subject><subject>Phase diagrams</subject><subject>Physics</subject><subject>Physics and Astronomy</subject><subject>Random access memory</subject><subject>Tellurium</subject><subject>Thermodynamic models</subject><subject>Thermodynamics</subject><issn>1547-7037</issn><issn>1863-7345</issn><issn>1934-7243</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><recordid>eNp9kE1LAzEQhoMoWKt_wFPAi0KjSSab7B4EpWgVKh5aobeQzWbbLd3dmmwP7a83uoI3h4GZw_vOx4PQJaO3jFJ1FxiTMiOUc0JpllByOEIDlkogCkRyHPtEKKIoqFN0FsKaUp6pVA7Qw3zlfN0W-8bUlcVvbeE2m6pZ4rbE3crhuSMLfL3A93i8G-GJGeFpNcIzf4Nn-9C5Opyjk9Jsgrv4rUP08fw0H7-Q6fvkdfw4JRZY1hGlrMqzeIsqJM9AJqW1gqfghLM5SFsyAdw4yIwtKIuZG54IanNeQJIWAEN01c_d-vZz50Kn1-3ON3Gl5jL-DjFEVPFeZX0bgnel3vqqNn6vGdXfpHRPSkdS-oeUPkQT9KYQxc3S-b_R_7i-AOVEaJg</recordid><startdate>20220401</startdate><enddate>20220401</enddate><creator>Yu, Shangzhao</creator><creator>Wang, Jiong</creator><creator>Cui, Dongyu</creator><creator>Chen, Shanxiong</creator><creator>Wu, Qing</creator><creator>Du, Yong</creator><general>Springer US</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>U9A</scope></search><sort><creationdate>20220401</creationdate><title>Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems</title><author>Yu, Shangzhao ; Wang, Jiong ; Cui, Dongyu ; Chen, Shanxiong ; Wu, Qing ; Du, Yong</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c319t-77c7b93457d629365fcc4283e4ecb36cf1432ae39acd01d01ba2540cb2d358d33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Ceramics</topic><topic>Composites</topic><topic>Crystallography and Scattering Methods</topic><topic>Engineering Thermodynamics</topic><topic>Enthalpy</topic><topic>First principles</topic><topic>Glass</topic><topic>Heat and Mass Transfer</topic><topic>Liquid phases</topic><topic>Metallic Materials</topic><topic>Modelling</topic><topic>Natural Materials</topic><topic>Phase diagrams</topic><topic>Physics</topic><topic>Physics and Astronomy</topic><topic>Random access memory</topic><topic>Tellurium</topic><topic>Thermodynamic models</topic><topic>Thermodynamics</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yu, Shangzhao</creatorcontrib><creatorcontrib>Wang, Jiong</creatorcontrib><creatorcontrib>Cui, Dongyu</creatorcontrib><creatorcontrib>Chen, Shanxiong</creatorcontrib><creatorcontrib>Wu, Qing</creatorcontrib><creatorcontrib>Du, Yong</creatorcontrib><collection>CrossRef</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>Journal of phase equilibria and diffusion</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yu, Shangzhao</au><au>Wang, Jiong</au><au>Cui, Dongyu</au><au>Chen, Shanxiong</au><au>Wu, Qing</au><au>Du, Yong</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems</atitle><jtitle>Journal of phase equilibria and diffusion</jtitle><stitle>J. Phase Equilib. Diffus</stitle><date>2022-04-01</date><risdate>2022</risdate><volume>43</volume><issue>2</issue><spage>193</spage><epage>213</epage><pages>193-213</pages><issn>1547-7037</issn><eissn>1863-7345</eissn><eissn>1934-7243</eissn><abstract>Te-based alloys are widely used for Phase Change Random Access Memory (PCRAM). The investigation of the Te-based phase diagram gives significant benefit to the development of Te-based PCRAM materials. Thermodynamic modelling of the Te-X (X = Cu, Ga, Li, Sr) systems has been carried out using the CALculation of PHAse Diagrams (CALPHAD) method based on the enthalpies of formation calculated by first-principles calculations in the present work and available experimental data in the literature. In the Te-Cu, Te-Ga and Te-Li systems, the liquid phases were separately described by the associated solution model with Cu
2
Te, Ga
2
Te
3
and Li
2
Te associate species. A set of self-consistent thermodynamic parameters for the Te-X (X = Cu, Ga, Li, Sr) systems was obtained. Comparison between the calculated results and available experimental data indicates that most experimental information can be satisfactorily accounted for by modelling.</abstract><cop>New York</cop><pub>Springer US</pub><doi>10.1007/s11669-022-00950-z</doi><tpages>21</tpages></addata></record> |
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| subjects | Ceramics Composites Crystallography and Scattering Methods Engineering Thermodynamics Enthalpy First principles Glass Heat and Mass Transfer Liquid phases Metallic Materials Modelling Natural Materials Phase diagrams Physics Physics and Astronomy Random access memory Tellurium Thermodynamic models Thermodynamics |
| title | Thermodynamic Modelling of the Te-X (X = Cu, Ga, Li, Sr) Systems |
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