Band offsets and electronic structures of interface between In0.5Ga0.5As and InP
III–V semiconductor interfacing with high-κ gate oxide is crucial for the high mobility metal-oxide-semiconductor field transistor device. With density functional theory calculations, we explored the band offsets and electronic structures of the In0.5Ga0.5As/InP interfaces with various interfacial b...
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Veröffentlicht in: | Journal of applied physics 2016-02, Vol.119 (5) |
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creator | Cai, Genwang Wang, Changhong Wang, Weichao Liang, Erjun |
description | III–V semiconductor interfacing with high-κ gate oxide is crucial for the high mobility metal-oxide-semiconductor field transistor device. With density functional theory calculations, we explored the band offsets and electronic structures of the In0.5Ga0.5As/InP interfaces with various interfacial bondings. Among six different bonding interfaces, we found that P-In(Ga) bonding interface showed the highest stability. Local density of states calculations was adopted to calculate the band offsets. Except for the metallic interface, we noticed that neither valence band offset nor conduction band offset depended on the interfacial bondings. For the most stable P-In(Ga) interface, we did not observe any gap states. Furthermore, we explored the P-In(Ga) interfaces with interfacial P-As exchange defects, which slightly modified the interface stability and the band offsets but did not produce any gap states. These findings provide solid evidence that InP could serve as a promising interfacial passivation layer between III–V material and high-κ oxide in the application of high mobility devices. |
doi_str_mv | 10.1063/1.4941029 |
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With density functional theory calculations, we explored the band offsets and electronic structures of the In0.5Ga0.5As/InP interfaces with various interfacial bondings. Among six different bonding interfaces, we found that P-In(Ga) bonding interface showed the highest stability. Local density of states calculations was adopted to calculate the band offsets. Except for the metallic interface, we noticed that neither valence band offset nor conduction band offset depended on the interfacial bondings. For the most stable P-In(Ga) interface, we did not observe any gap states. Furthermore, we explored the P-In(Ga) interfaces with interfacial P-As exchange defects, which slightly modified the interface stability and the band offsets but did not produce any gap states. These findings provide solid evidence that InP could serve as a promising interfacial passivation layer between III–V material and high-κ oxide in the application of high mobility devices.</description><identifier>ISSN: 0021-8979</identifier><identifier>EISSN: 1089-7550</identifier><identifier>DOI: 10.1063/1.4941029</identifier><identifier>CODEN: JAPIAU</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Bonding ; Conduction bands ; Density functional theory ; Indium phosphides ; Interface stability ; Mathematical analysis ; Metal oxides ; Offsets ; Valence band</subject><ispartof>Journal of applied physics, 2016-02, Vol.119 (5)</ispartof><rights>AIP Publishing LLC</rights><rights>2016 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c327t-4e327abef1ba4c6659c95e64d024d8f824131c1e2e58ad6ea078102b58ad562d3</citedby><cites>FETCH-LOGICAL-c327t-4e327abef1ba4c6659c95e64d024d8f824131c1e2e58ad6ea078102b58ad562d3</cites><orcidid>0000-0002-7059-7522</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://pubs.aip.org/jap/article-lookup/doi/10.1063/1.4941029$$EHTML$$P50$$Gscitation$$H</linktohtml><link.rule.ids>314,776,780,790,4498,27901,27902,76126</link.rule.ids></links><search><creatorcontrib>Cai, Genwang</creatorcontrib><creatorcontrib>Wang, Changhong</creatorcontrib><creatorcontrib>Wang, Weichao</creatorcontrib><creatorcontrib>Liang, Erjun</creatorcontrib><title>Band offsets and electronic structures of interface between In0.5Ga0.5As and InP</title><title>Journal of applied physics</title><description>III–V semiconductor interfacing with high-κ gate oxide is crucial for the high mobility metal-oxide-semiconductor field transistor device. With density functional theory calculations, we explored the band offsets and electronic structures of the In0.5Ga0.5As/InP interfaces with various interfacial bondings. Among six different bonding interfaces, we found that P-In(Ga) bonding interface showed the highest stability. Local density of states calculations was adopted to calculate the band offsets. Except for the metallic interface, we noticed that neither valence band offset nor conduction band offset depended on the interfacial bondings. For the most stable P-In(Ga) interface, we did not observe any gap states. Furthermore, we explored the P-In(Ga) interfaces with interfacial P-As exchange defects, which slightly modified the interface stability and the band offsets but did not produce any gap states. These findings provide solid evidence that InP could serve as a promising interfacial passivation layer between III–V material and high-κ oxide in the application of high mobility devices.</description><subject>Applied physics</subject><subject>Bonding</subject><subject>Conduction bands</subject><subject>Density functional theory</subject><subject>Indium phosphides</subject><subject>Interface stability</subject><subject>Mathematical analysis</subject><subject>Metal oxides</subject><subject>Offsets</subject><subject>Valence band</subject><issn>0021-8979</issn><issn>1089-7550</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><recordid>eNp9kE9LAzEQxYMoWKsHv8GCJ4Wtmewmmxxr8U-hYA96DtnsBLbUbE2yit_eLVv0IHiZNwO_ecM8Qi6BzoCK4hZmpSqBMnVEJkClyivO6TGZUMogl6pSp-Qsxg2lALJQE7K-M77JOucippjte9yiTaHzrc1iCr1NfcA4EFnrEwZnLGY1pk9Eny09nfFHM5T5uLv063Ny4sw24sVBp-T14f5l8ZSvnh-Xi_kqtwWrUl7iIKZGB7UprRBcWcVRlA1lZSOdZCUUYAEZcmkagYZWcnir3k9csKaYkqvRdxe69x5j0puuD344qRkwkJUAEAN1PVI2dDEGdHoX2jcTvjRQvQ9Mgz4ENrA3Ixttm0xqO_8Df3ThF9S7xv0H_3X-BsHmdz8</recordid><startdate>20160207</startdate><enddate>20160207</enddate><creator>Cai, Genwang</creator><creator>Wang, Changhong</creator><creator>Wang, Weichao</creator><creator>Liang, Erjun</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0002-7059-7522</orcidid></search><sort><creationdate>20160207</creationdate><title>Band offsets and electronic structures of interface between In0.5Ga0.5As and InP</title><author>Cai, Genwang ; Wang, Changhong ; Wang, Weichao ; Liang, Erjun</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c327t-4e327abef1ba4c6659c95e64d024d8f824131c1e2e58ad6ea078102b58ad562d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2016</creationdate><topic>Applied physics</topic><topic>Bonding</topic><topic>Conduction bands</topic><topic>Density functional theory</topic><topic>Indium phosphides</topic><topic>Interface stability</topic><topic>Mathematical analysis</topic><topic>Metal oxides</topic><topic>Offsets</topic><topic>Valence band</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cai, Genwang</creatorcontrib><creatorcontrib>Wang, Changhong</creatorcontrib><creatorcontrib>Wang, Weichao</creatorcontrib><creatorcontrib>Liang, Erjun</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Journal of applied physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cai, Genwang</au><au>Wang, Changhong</au><au>Wang, Weichao</au><au>Liang, Erjun</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Band offsets and electronic structures of interface between In0.5Ga0.5As and InP</atitle><jtitle>Journal of applied physics</jtitle><date>2016-02-07</date><risdate>2016</risdate><volume>119</volume><issue>5</issue><issn>0021-8979</issn><eissn>1089-7550</eissn><coden>JAPIAU</coden><abstract>III–V semiconductor interfacing with high-κ gate oxide is crucial for the high mobility metal-oxide-semiconductor field transistor device. With density functional theory calculations, we explored the band offsets and electronic structures of the In0.5Ga0.5As/InP interfaces with various interfacial bondings. Among six different bonding interfaces, we found that P-In(Ga) bonding interface showed the highest stability. Local density of states calculations was adopted to calculate the band offsets. Except for the metallic interface, we noticed that neither valence band offset nor conduction band offset depended on the interfacial bondings. For the most stable P-In(Ga) interface, we did not observe any gap states. Furthermore, we explored the P-In(Ga) interfaces with interfacial P-As exchange defects, which slightly modified the interface stability and the band offsets but did not produce any gap states. These findings provide solid evidence that InP could serve as a promising interfacial passivation layer between III–V material and high-κ oxide in the application of high mobility devices.</abstract><cop>Melville</cop><pub>American Institute of Physics</pub><doi>10.1063/1.4941029</doi><tpages>5</tpages><orcidid>https://orcid.org/0000-0002-7059-7522</orcidid></addata></record> |
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subjects | Applied physics Bonding Conduction bands Density functional theory Indium phosphides Interface stability Mathematical analysis Metal oxides Offsets Valence band |
title | Band offsets and electronic structures of interface between In0.5Ga0.5As and InP |
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