Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8−dAuxSi46−x−y Clathrate

We have synthesized n - and p -type clathrates Ba 8− d Au x Si 46− x − y with various Au contents (4.6 

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Hauptverfasser: Munetoh, Shinji, Saisho, Makoto, Oka, Takuya, Osada, Toshiko, Miura, Hideshi, Furukimi, Osamu
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container_volume 43
creator Munetoh, Shinji
Saisho, Makoto
Oka, Takuya
Osada, Toshiko
Miura, Hideshi
Furukimi, Osamu
description We have synthesized n - and p -type clathrates Ba 8− d Au x Si 46− x − y with various Au contents (4.6 
doi_str_mv 10.1007/s11664-014-3118-1
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The Au compositions found by wavelength-dispersive x-ray spectrometry for the synthesized samples were slightly lower than the nominal compositions. Ba 7.8 Au 4.6 Si 41.4 and Ba 7.7 Au 4.9 Si 41.1 samples showed n - and p -type conduction, respectively. According to the electron count (Ba 2+ ) 8 Au( 3− ) 5.33 Si 40.67 , the clathrate composition with x  = 5.33 is expected to be an intrinsic semiconductor. Our experimental results show that increase of the Au composition causes a transition from n -type to p -type conduction between x  = 4.6 and 4.9. We have also calculated the band structures of the Ba 8 Au x Si 46− x clathrate including a vacancy by ab initio calculation based on density functional theory with structure optimization. It was found that the vacancy behaves like an electron acceptor and the numbers of vacancies at 24 k sites for the synthesized Ba 8 Au x Si 46− x − y clathrates can be estimated as ∼0.4 in a unit cell.</description><identifier>ISSN: 0361-5235</identifier><identifier>EISSN: 1543-186X</identifier><identifier>DOI: 10.1007/s11664-014-3118-1</identifier><identifier>CODEN: JECMA5</identifier><language>eng</language><publisher>Boston: Springer US</publisher><subject>Annealing ; Applied sciences ; Characterization and Evaluation of Materials ; Chemistry and Materials Science ; Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Conductivity phenomena in semiconductors and insulators ; Electron states ; Electronic transport in condensed matter ; Electronics and Microelectronics ; Exact sciences and technology ; Heat treatment ; Instrumentation ; Materials Science ; Metals. Metallurgy ; Methods of electronic structure calculations ; Optical and Electronic Materials ; Physics ; Production techniques ; Solid State Physics ; Thermoelectric and thermomagnetic effects</subject><ispartof>Journal of electronic materials, 2014, Vol.43 (6), p.2430-2434</ispartof><rights>TMS 2014</rights><rights>2015 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s11664-014-3118-1$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11664-014-3118-1$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>309,310,314,780,784,789,790,4050,4051,23930,23931,25140,27924,27925,41488,42557,51319</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&amp;idt=28597316$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Munetoh, Shinji</creatorcontrib><creatorcontrib>Saisho, Makoto</creatorcontrib><creatorcontrib>Oka, Takuya</creatorcontrib><creatorcontrib>Osada, Toshiko</creatorcontrib><creatorcontrib>Miura, Hideshi</creatorcontrib><creatorcontrib>Furukimi, Osamu</creatorcontrib><title>Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8−dAuxSi46−x−y Clathrate</title><title>Journal of electronic materials</title><addtitle>Journal of Elec Materi</addtitle><description>We have synthesized n - and p -type clathrates Ba 8− d Au x Si 46− x − y with various Au contents (4.6 &lt;  x  &lt; 6.0) by arc-melting, annealing at 1173 K, and spark plasma sintering at 1073 K. The Au compositions found by wavelength-dispersive x-ray spectrometry for the synthesized samples were slightly lower than the nominal compositions. Ba 7.8 Au 4.6 Si 41.4 and Ba 7.7 Au 4.9 Si 41.1 samples showed n - and p -type conduction, respectively. According to the electron count (Ba 2+ ) 8 Au( 3− ) 5.33 Si 40.67 , the clathrate composition with x  = 5.33 is expected to be an intrinsic semiconductor. Our experimental results show that increase of the Au composition causes a transition from n -type to p -type conduction between x  = 4.6 and 4.9. We have also calculated the band structures of the Ba 8 Au x Si 46− x clathrate including a vacancy by ab initio calculation based on density functional theory with structure optimization. It was found that the vacancy behaves like an electron acceptor and the numbers of vacancies at 24 k sites for the synthesized Ba 8 Au x Si 46− x − y clathrates can be estimated as ∼0.4 in a unit cell.</description><subject>Annealing</subject><subject>Applied sciences</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry and Materials Science</subject><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Conductivity phenomena in semiconductors and insulators</subject><subject>Electron states</subject><subject>Electronic transport in condensed matter</subject><subject>Electronics and Microelectronics</subject><subject>Exact sciences and technology</subject><subject>Heat treatment</subject><subject>Instrumentation</subject><subject>Materials Science</subject><subject>Metals. Metallurgy</subject><subject>Methods of electronic structure calculations</subject><subject>Optical and Electronic Materials</subject><subject>Physics</subject><subject>Production techniques</subject><subject>Solid State Physics</subject><subject>Thermoelectric and thermomagnetic effects</subject><issn>0361-5235</issn><issn>1543-186X</issn><fulltext>true</fulltext><rsrctype>conference_proceeding</rsrctype><creationdate>2014</creationdate><recordtype>conference_proceeding</recordtype><recordid>eNotkM9KAzEQh4MoWKsP4C0Xj9FMstnNHmvxHxQU3YMnQ5qdtinb3SVZpX0Dzz6iT2JKPQwz8P2YGT5CLoFfA-fFTQTI84xxyJgE0AyOyAhUJhno_P2YjLjMgSkh1Sk5i3HNOSjQMCIfr-jbL4yDX9rBdy3tFrRaYdh02KAbgnf0JXQ9hsFj3MOWUdvWtGfVrkd6a_Xv9089-dy--SxP4zbVjk4bO6yCHfCcnCxsE_Hiv49JdX9XTR_Z7PnhaTqZsb6QwLJSgJwX9RylVKLUvMyEclaihQRQW-EEyqKslVZC585ZVLKUSvPMSV3P5ZhcHdb2NjrbLIJtnY-mD35jw84Ircp0J085ccjFhNolBrPuPkObPjPAzV6kOYg0SaTZizQg_wDAp2gf</recordid><startdate>2014</startdate><enddate>2014</enddate><creator>Munetoh, Shinji</creator><creator>Saisho, Makoto</creator><creator>Oka, Takuya</creator><creator>Osada, Toshiko</creator><creator>Miura, Hideshi</creator><creator>Furukimi, Osamu</creator><general>Springer US</general><general>Springer</general><scope>IQODW</scope></search><sort><creationdate>2014</creationdate><title>Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8−dAuxSi46−x−y Clathrate</title><author>Munetoh, Shinji ; Saisho, Makoto ; Oka, Takuya ; Osada, Toshiko ; Miura, Hideshi ; Furukimi, Osamu</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-p731-49213b7dbe33529809425ca3ea1213e8a2c2e379d585286ccae53935804c38db3</frbrgroupid><rsrctype>conference_proceedings</rsrctype><prefilter>conference_proceedings</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Annealing</topic><topic>Applied sciences</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry and Materials Science</topic><topic>Condensed matter: electronic structure, electrical, magnetic, and optical properties</topic><topic>Conductivity phenomena in semiconductors and insulators</topic><topic>Electron states</topic><topic>Electronic transport in condensed matter</topic><topic>Electronics and Microelectronics</topic><topic>Exact sciences and technology</topic><topic>Heat treatment</topic><topic>Instrumentation</topic><topic>Materials Science</topic><topic>Metals. Metallurgy</topic><topic>Methods of electronic structure calculations</topic><topic>Optical and Electronic Materials</topic><topic>Physics</topic><topic>Production techniques</topic><topic>Solid State Physics</topic><topic>Thermoelectric and thermomagnetic effects</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Munetoh, Shinji</creatorcontrib><creatorcontrib>Saisho, Makoto</creatorcontrib><creatorcontrib>Oka, Takuya</creatorcontrib><creatorcontrib>Osada, Toshiko</creatorcontrib><creatorcontrib>Miura, Hideshi</creatorcontrib><creatorcontrib>Furukimi, Osamu</creatorcontrib><collection>Pascal-Francis</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Munetoh, Shinji</au><au>Saisho, Makoto</au><au>Oka, Takuya</au><au>Osada, Toshiko</au><au>Miura, Hideshi</au><au>Furukimi, Osamu</au><format>book</format><genre>proceeding</genre><ristype>CONF</ristype><atitle>Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8−dAuxSi46−x−y Clathrate</atitle><btitle>Journal of electronic materials</btitle><stitle>Journal of Elec Materi</stitle><date>2014</date><risdate>2014</risdate><volume>43</volume><issue>6</issue><spage>2430</spage><epage>2434</epage><pages>2430-2434</pages><issn>0361-5235</issn><eissn>1543-186X</eissn><coden>JECMA5</coden><abstract>We have synthesized n - and p -type clathrates Ba 8− d Au x Si 46− x − y with various Au contents (4.6 &lt;  x  &lt; 6.0) by arc-melting, annealing at 1173 K, and spark plasma sintering at 1073 K. The Au compositions found by wavelength-dispersive x-ray spectrometry for the synthesized samples were slightly lower than the nominal compositions. Ba 7.8 Au 4.6 Si 41.4 and Ba 7.7 Au 4.9 Si 41.1 samples showed n - and p -type conduction, respectively. According to the electron count (Ba 2+ ) 8 Au( 3− ) 5.33 Si 40.67 , the clathrate composition with x  = 5.33 is expected to be an intrinsic semiconductor. Our experimental results show that increase of the Au composition causes a transition from n -type to p -type conduction between x  = 4.6 and 4.9. We have also calculated the band structures of the Ba 8 Au x Si 46− x clathrate including a vacancy by ab initio calculation based on density functional theory with structure optimization. It was found that the vacancy behaves like an electron acceptor and the numbers of vacancies at 24 k sites for the synthesized Ba 8 Au x Si 46− x − y clathrates can be estimated as ∼0.4 in a unit cell.</abstract><cop>Boston</cop><pub>Springer US</pub><doi>10.1007/s11664-014-3118-1</doi><tpages>5</tpages></addata></record>
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subjects Annealing
Applied sciences
Characterization and Evaluation of Materials
Chemistry and Materials Science
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Conductivity phenomena in semiconductors and insulators
Electron states
Electronic transport in condensed matter
Electronics and Microelectronics
Exact sciences and technology
Heat treatment
Instrumentation
Materials Science
Metals. Metallurgy
Methods of electronic structure calculations
Optical and Electronic Materials
Physics
Production techniques
Solid State Physics
Thermoelectric and thermomagnetic effects
title Reinvestigation of Thermoelectric Properties of n- and p-Type Ba8−dAuxSi46−x−y Clathrate
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