A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method
We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise...
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| Veröffentlicht in: | Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology 2012-08, Vol.14 (8), p.1-15, Article 1050 |
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| container_title | Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology |
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| creator | Liu, Xuan Ito, Haruhiko Torikai, Eiko |
| description | We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li
n
, Na
n
, K
n
, Rb
n
, and Cs
n
with
n
= 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms. |
| doi_str_mv | 10.1007/s11051-012-1050-y |
| format | Article |
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n
, Na
n
, K
n
, Rb
n
, and Cs
n
with
n
= 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.</description><identifier>ISSN: 1388-0764</identifier><identifier>EISSN: 1572-896X</identifier><identifier>DOI: 10.1007/s11051-012-1050-y</identifier><language>eng</language><publisher>Dordrecht: Springer Netherlands</publisher><subject>Alkali metals ; Atomic properties ; Atomic structure ; Characterization and Evaluation of Materials ; Chemistry and Materials Science ; Clusters ; Inorganic Chemistry ; Isomers ; Lasers ; Materials Science ; Mathematical models ; Nanocomposites ; Nanoparticles ; Nanostructure ; Nanotechnology ; Nuclear power generation ; Optical Devices ; Optics ; Photonics ; Physical Chemistry ; Research Paper</subject><ispartof>Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2012-08, Vol.14 (8), p.1-15, Article 1050</ispartof><rights>Springer Science+Business Media B.V. 2012</rights><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c448t-8d54825a6b8e7170d78f2f13e8f74c5beca7b30b8385bc7432554bdf4db813753</citedby><cites>FETCH-LOGICAL-c448t-8d54825a6b8e7170d78f2f13e8f74c5beca7b30b8385bc7432554bdf4db813753</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/s11051-012-1050-y$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s11051-012-1050-y$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,777,781,27905,27906,41469,42538,51300</link.rule.ids></links><search><creatorcontrib>Liu, Xuan</creatorcontrib><creatorcontrib>Ito, Haruhiko</creatorcontrib><creatorcontrib>Torikai, Eiko</creatorcontrib><title>A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method</title><title>Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology</title><addtitle>J Nanopart Res</addtitle><description>We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li
n
, Na
n
, K
n
, Rb
n
, and Cs
n
with
n
= 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.</description><subject>Alkali metals</subject><subject>Atomic properties</subject><subject>Atomic structure</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry and Materials Science</subject><subject>Clusters</subject><subject>Inorganic Chemistry</subject><subject>Isomers</subject><subject>Lasers</subject><subject>Materials Science</subject><subject>Mathematical models</subject><subject>Nanocomposites</subject><subject>Nanoparticles</subject><subject>Nanostructure</subject><subject>Nanotechnology</subject><subject>Nuclear power generation</subject><subject>Optical Devices</subject><subject>Optics</subject><subject>Photonics</subject><subject>Physical Chemistry</subject><subject>Research 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numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method</title><author>Liu, Xuan ; Ito, Haruhiko ; Torikai, Eiko</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c448t-8d54825a6b8e7170d78f2f13e8f74c5beca7b30b8385bc7432554bdf4db813753</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2012</creationdate><topic>Alkali metals</topic><topic>Atomic properties</topic><topic>Atomic structure</topic><topic>Characterization and Evaluation of Materials</topic><topic>Chemistry and Materials Science</topic><topic>Clusters</topic><topic>Inorganic Chemistry</topic><topic>Isomers</topic><topic>Lasers</topic><topic>Materials Science</topic><topic>Mathematical models</topic><topic>Nanocomposites</topic><topic>Nanoparticles</topic><topic>Nanostructure</topic><topic>Nanotechnology</topic><topic>Nuclear power generation</topic><topic>Optical Devices</topic><topic>Optics</topic><topic>Photonics</topic><topic>Physical Chemistry</topic><topic>Research Paper</topic><toplevel>online_resources</toplevel><creatorcontrib>Liu, Xuan</creatorcontrib><creatorcontrib>Ito, Haruhiko</creatorcontrib><creatorcontrib>Torikai, Eiko</creatorcontrib><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Biotechnology Research Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Toxicology Abstracts</collection><collection>Health & Medical Collection</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>ProQuest Pharma Collection</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>ProQuest SciTech 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method</atitle><jtitle>Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology</jtitle><stitle>J Nanopart Res</stitle><date>2012-08-01</date><risdate>2012</risdate><volume>14</volume><issue>8</issue><spage>1</spage><epage>15</epage><pages>1-15</pages><artnum>1050</artnum><issn>1388-0764</issn><eissn>1572-896X</eissn><abstract>We calculate the different geometric isomers of spin clusters composed of a small number of alkali-metal atoms using the UB3LYP density-functional method. The electron density distribution of clusters changes according to the value of total spin. Steric structures as well as planar structures arise when the number of atoms increases. The lowest spin state is the most stable and Li
n
, Na
n
, K
n
, Rb
n
, and Cs
n
with
n
= 2–8 can be formed in higher spin states. In the highest spin state, the preparation of clusters depends on the kind and the number of constituent atoms. The interaction energy between alkali-metal atoms and rare-gas atoms is smaller than the binding energy of spin clusters. Consequently, it is possible to self-organize the alkali-metal-atom clusters on a non-wetting substrate coated with rare-gas atoms.</abstract><cop>Dordrecht</cop><pub>Springer Netherlands</pub><doi>10.1007/s11051-012-1050-y</doi><tpages>15</tpages></addata></record> |
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| subjects | Alkali metals Atomic properties Atomic structure Characterization and Evaluation of Materials Chemistry and Materials Science Clusters Inorganic Chemistry Isomers Lasers Materials Science Mathematical models Nanocomposites Nanoparticles Nanostructure Nanotechnology Nuclear power generation Optical Devices Optics Photonics Physical Chemistry Research Paper |
| title | A numerical study of spin-dependent organization of alkali-metal atomic clusters using density-functional method |
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