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Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage
First-principles theory-based comparative electronic-transport studies were performed for an atomic chain of Au, a bare Cd 9 Te 9 cage-like cluster, and a single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd 9 Te 9 using Au(111) as the electrod...
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| Published in: | Nanoscale 2023-01, Vol.15 (3), p.1327-1337 |
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| Language: | English |
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| creator | Chavan, Kashinath T Chandra, Sharat Kshirsagar, Anjali |
| description | First-principles theory-based comparative electronic-transport studies were performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd
9
Te
9
using Au(111) as the electrodes. The bare cluster was semiconducting and acted as a tunnel barrier up to a particular applied bias and then beyond that the device displayed a linear current-voltage relationship. Several TMs (Ti, V, Cr, Mn, Fe) encapsulated in the cage showed a half-metallic behavior and spin-filtering effect in the
I-V
characteristics of the device. Detailed qualitative and quantitative analyses of the
I-V
characteristics for metallic, semiconducting, and half-metallic nanostructures were carried out for quantifying the use of these TMs in spintronic device applications.
DFT-NEGF based comparative electronic transport studies performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single 3
d
(Ti to Zn) and 4
d
(Ru to Pd) TM encapsulated Cd
9
Te
9
cluster using Au(111) as electrodes. |
| doi_str_mv | 10.1039/d2nr06134a |
| format | article |
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9
Te
9
cage-like cluster, and a single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd
9
Te
9
using Au(111) as the electrodes. The bare cluster was semiconducting and acted as a tunnel barrier up to a particular applied bias and then beyond that the device displayed a linear current-voltage relationship. Several TMs (Ti, V, Cr, Mn, Fe) encapsulated in the cage showed a half-metallic behavior and spin-filtering effect in the
I-V
characteristics of the device. Detailed qualitative and quantitative analyses of the
I-V
characteristics for metallic, semiconducting, and half-metallic nanostructures were carried out for quantifying the use of these TMs in spintronic device applications.
DFT-NEGF based comparative electronic transport studies performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single 3
d
(Ti to Zn) and 4
d
(Ru to Pd) TM encapsulated Cd
9
Te
9
cluster using Au(111) as electrodes.</description><identifier>ISSN: 2040-3364</identifier><identifier>EISSN: 2040-3372</identifier><identifier>DOI: 10.1039/d2nr06134a</identifier><identifier>PMID: 36546484</identifier><language>eng</language><publisher>England: Royal Society of Chemistry</publisher><subject>Cadmium tellurides ; Cages ; Chromium ; Clusters ; Copper ; Current voltage characteristics ; Electron spin ; Encapsulation ; First principles ; Gold ; Iron ; Manganese ; Palladium ; Qualitative analysis ; Titanium ; Transition metals ; Transport properties ; Tunnels ; Vanadium ; Zinc</subject><ispartof>Nanoscale, 2023-01, Vol.15 (3), p.1327-1337</ispartof><rights>Copyright Royal Society of Chemistry 2023</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c226t-4220db5332ea31711a37d1a0fe269fad24f5a0af12d6dc2928d5ec06f8258dba3</cites><orcidid>0000-0001-6006-3730 ; 0000-0002-3368-8126 ; 0000-0002-4338-4716</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/36546484$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink></links><search><creatorcontrib>Chavan, Kashinath T</creatorcontrib><creatorcontrib>Chandra, Sharat</creatorcontrib><creatorcontrib>Kshirsagar, Anjali</creatorcontrib><title>Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage</title><title>Nanoscale</title><addtitle>Nanoscale</addtitle><description>First-principles theory-based comparative electronic-transport studies were performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd
9
Te
9
using Au(111) as the electrodes. The bare cluster was semiconducting and acted as a tunnel barrier up to a particular applied bias and then beyond that the device displayed a linear current-voltage relationship. Several TMs (Ti, V, Cr, Mn, Fe) encapsulated in the cage showed a half-metallic behavior and spin-filtering effect in the
I-V
characteristics of the device. Detailed qualitative and quantitative analyses of the
I-V
characteristics for metallic, semiconducting, and half-metallic nanostructures were carried out for quantifying the use of these TMs in spintronic device applications.
DFT-NEGF based comparative electronic transport studies performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single 3
d
(Ti to Zn) and 4
d
(Ru to Pd) TM encapsulated Cd
9
Te
9
cluster using Au(111) as electrodes.</description><subject>Cadmium tellurides</subject><subject>Cages</subject><subject>Chromium</subject><subject>Clusters</subject><subject>Copper</subject><subject>Current voltage characteristics</subject><subject>Electron spin</subject><subject>Encapsulation</subject><subject>First principles</subject><subject>Gold</subject><subject>Iron</subject><subject>Manganese</subject><subject>Palladium</subject><subject>Qualitative analysis</subject><subject>Titanium</subject><subject>Transition metals</subject><subject>Transport properties</subject><subject>Tunnels</subject><subject>Vanadium</subject><subject>Zinc</subject><issn>2040-3364</issn><issn>2040-3372</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNpFkU1v1DAQhi0EoqVw4Q6yxA0p1B4nTpZbtZQPqSoSWs7RrD_AlWOHsXPob-ifbuiW5TQjPY_ekd5h7LUUH6RQm3MLiYSWqsUn7BREKxqlenh63HV7wl6UciOE3iitnrMTpbtWt0N7yu52S0ou8j0SBUe8Zl7mkLgPsTr6yC-jM5VyCqaphKnMmSo3v5HQrDyUGkzh2fMHGGrIiU-uYuRY88RdMjiXJWJ1lq-pyMuEMfIt2iksE9-5GBcK1nGDv9xL9sxjLO7V4zxjPz9f7rZfm6vvX75tL64aA6Br0wIIu--UAodK9lKi6q1E4R3ojUcLre9QoJdgtTWwgcF2zgjtB-gGu0d1xt4dcmfKfxZX6niTF0rryRF63QsxCA2r9f5gGcqlkPPjTGFCuh2lGP_2Pn6C6x8PvV-s8tvHyGU_OXtU_xW9Cm8OAhVzpP8fp-4BrE-KNQ</recordid><startdate>20230119</startdate><enddate>20230119</enddate><creator>Chavan, Kashinath T</creator><creator>Chandra, Sharat</creator><creator>Kshirsagar, Anjali</creator><general>Royal Society of Chemistry</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>7U5</scope><scope>8BQ</scope><scope>8FD</scope><scope>F28</scope><scope>FR3</scope><scope>JG9</scope><scope>L7M</scope><orcidid>https://orcid.org/0000-0001-6006-3730</orcidid><orcidid>https://orcid.org/0000-0002-3368-8126</orcidid><orcidid>https://orcid.org/0000-0002-4338-4716</orcidid></search><sort><creationdate>20230119</creationdate><title>Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage</title><author>Chavan, Kashinath T ; Chandra, Sharat ; Kshirsagar, Anjali</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c226t-4220db5332ea31711a37d1a0fe269fad24f5a0af12d6dc2928d5ec06f8258dba3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Cadmium tellurides</topic><topic>Cages</topic><topic>Chromium</topic><topic>Clusters</topic><topic>Copper</topic><topic>Current voltage characteristics</topic><topic>Electron spin</topic><topic>Encapsulation</topic><topic>First principles</topic><topic>Gold</topic><topic>Iron</topic><topic>Manganese</topic><topic>Palladium</topic><topic>Qualitative analysis</topic><topic>Titanium</topic><topic>Transition metals</topic><topic>Transport properties</topic><topic>Tunnels</topic><topic>Vanadium</topic><topic>Zinc</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Chavan, Kashinath T</creatorcontrib><creatorcontrib>Chandra, Sharat</creatorcontrib><creatorcontrib>Kshirsagar, Anjali</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>ANTE: Abstracts in New Technology & Engineering</collection><collection>Engineering Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Nanoscale</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Chavan, Kashinath T</au><au>Chandra, Sharat</au><au>Kshirsagar, Anjali</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage</atitle><jtitle>Nanoscale</jtitle><addtitle>Nanoscale</addtitle><date>2023-01-19</date><risdate>2023</risdate><volume>15</volume><issue>3</issue><spage>1327</spage><epage>1337</epage><pages>1327-1337</pages><issn>2040-3364</issn><eissn>2040-3372</eissn><abstract>First-principles theory-based comparative electronic-transport studies were performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single transition metal (TM) (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ru, Rh, Pd) atom encapsulated within the Cd
9
Te
9
using Au(111) as the electrodes. The bare cluster was semiconducting and acted as a tunnel barrier up to a particular applied bias and then beyond that the device displayed a linear current-voltage relationship. Several TMs (Ti, V, Cr, Mn, Fe) encapsulated in the cage showed a half-metallic behavior and spin-filtering effect in the
I-V
characteristics of the device. Detailed qualitative and quantitative analyses of the
I-V
characteristics for metallic, semiconducting, and half-metallic nanostructures were carried out for quantifying the use of these TMs in spintronic device applications.
DFT-NEGF based comparative electronic transport studies performed for an atomic chain of Au, a bare Cd
9
Te
9
cage-like cluster, and a single 3
d
(Ti to Zn) and 4
d
(Ru to Pd) TM encapsulated Cd
9
Te
9
cluster using Au(111) as electrodes.</abstract><cop>England</cop><pub>Royal Society of Chemistry</pub><pmid>36546484</pmid><doi>10.1039/d2nr06134a</doi><tpages>11</tpages><orcidid>https://orcid.org/0000-0001-6006-3730</orcidid><orcidid>https://orcid.org/0000-0002-3368-8126</orcidid><orcidid>https://orcid.org/0000-0002-4338-4716</orcidid></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 2040-3364 |
| ispartof | Nanoscale, 2023-01, Vol.15 (3), p.1327-1337 |
| issn | 2040-3364 2040-3372 |
| language | eng |
| recordid | cdi_proquest_journals_2767008062 |
| source | Royal Society of Chemistry:Jisc Collections:Royal Society of Chemistry Read and Publish 2022-2024 (reading list) |
| subjects | Cadmium tellurides Cages Chromium Clusters Copper Current voltage characteristics Electron spin Encapsulation First principles Gold Iron Manganese Palladium Qualitative analysis Titanium Transition metals Transport properties Tunnels Vanadium Zinc |
| title | Tunnel barrier to spin filter: Electronic-transport characteristics of transition metal atom encapsulated in a small Cadmium Telluride cage |
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