PMID- 18816146 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20081224 LR - 20200930 IS - 1530-6984 (Print) IS - 1530-6984 (Linking) VI - 8 IP - 11 DP - 2008 Nov TI - Novel one-dimensional organometallic half metals: vanadium-cyclopentadienyl, vanadium-cyclopentadienyl-benzene, and vanadium-anthracene wires. PG - 3640-4 LID - 10.1021/nl8016016 [doi] AB - By using the density functional theory, we find that organometallic multidecker sandwich clusters V(2 n+1)Cp(2 n+2), Vn(FeCp2)(n+1) (Cp=cyclopentadienyl), and V(2n)Ant(n+1) (Ant=anthracene) may have linear structures, and their total magnetic moments generally increase with the cluster size. The one-dimensional (VCp)infinity, (VBzVCp)infinity (Bz=benzene), and (V2Ant)infinity wires are predicted to be ferromagnetic half-metals, while the one-dimensional (VCpFeCp)infinity wire is a ferromagnetic semiconductor. The spin transportation calculations show that the finite V2(n+1)Cp2(n+2) and Vn(FeCp2)(n+1) sandwich clusters coupled to gold electrodes are nearly perfect spin-filters. FAU - Wang, Lu AU - Wang L AD - State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, Peoples Republic of China. FAU - Cai, Zixing AU - Cai Z FAU - Wang, Junyu AU - Wang J FAU - Lu, Jing AU - Lu J FAU - Luo, Guangfu AU - Luo G FAU - Lai, Lin AU - Lai L FAU - Zhou, Jing AU - Zhou J FAU - Qin, Rui AU - Qin R FAU - Gao, Zhengxiang AU - Gao Z FAU - Yu, Dapeng AU - Yu D FAU - Li, Guangping AU - Li G FAU - Mei, Wai Ning AU - Mei WN FAU - Sanvito, Stefano AU - Sanvito S LA - eng PT - Journal Article DEP - 20080925 PL - United States TA - Nano Lett JT - Nano letters JID - 101088070 EDAT- 2008/09/26 09:00 MHDA- 2008/09/26 09:01 CRDT- 2008/09/26 09:00 PHST- 2008/09/26 09:00 [pubmed] PHST- 2008/09/26 09:01 [medline] PHST- 2008/09/26 09:00 [entrez] AID - 10.1021/nl8016016 [doi] PST - ppublish SO - Nano Lett. 2008 Nov;8(11):3640-4. doi: 10.1021/nl8016016. Epub 2008 Sep 25.