Interplay between experiments and calculations for organometallic clusters and caged clusters

研究成果: Conference contribution

抄録

Clusters consisting of 10-1000 atoms exhibit size-dependent electronic and geometric properties. In particular, composite clusters consisting of several elements and/or components provide a promising way for a bottom-up approach for designing functional advanced materials, because the functionality of the composite clusters can be optimized not only by the cluster size but also by their compositions. In the formation of composite clusters, their geometric symmetry and dimensionality are emphasized to control the physical and chemical properties, because selective and anisotropic enhancements for optical, chemical, and magnetic properties can be expected. Organometallic clusters and caged clusters are demonstrated as a representative example of designing the functionality of the composite clusters. Organometallic vanadium-benzene forms a one dimensional sandwich structure showing ferromagnetic behaviors and anomalously large HOMO-LUMO gap differences of two spin orbitals, which can be regarded as spin-filter components for cluster-based spintronic devices. Caged clusters of aluminum (Al) are well stabilized both geometrically and electronically at Al12X, behaving as a "superatom".

本文言語English
ホスト出版物のタイトルInternational Conference of Computational Methods in Sciences and Engineering 2015, ICCMSE 2015
編集者Zacharoula Kalogiratou, Theodore E. Simos, Theodore Monovasilis, Theodore E. Simos, Theodore E. Simos
出版社American Institute of Physics Inc.
ISBN(電子版)9780735413498
DOI
出版ステータスPublished - 2015 12 31
イベントInternational Conference of Computational Methods in Sciences and Engineering 2015, ICCMSE 2015 - Athens, Greece
継続期間: 2015 3 202015 3 23

出版物シリーズ

名前AIP Conference Proceedings
1702
ISSN(印刷版)0094-243X
ISSN(電子版)1551-7616

Other

OtherInternational Conference of Computational Methods in Sciences and Engineering 2015, ICCMSE 2015
国/地域Greece
CityAthens
Period15/3/2015/3/23

ASJC Scopus subject areas

  • 物理学および天文学(全般)

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