Parida, Prakash ; Kundu, Anasuya ; Pati, Swapan K. (2010) One-dimensional organometallic V-anthracene wire and its B-N analogue: efficient half-metallic spin filters PCCP: Physical Chemistry Chemical Physics, 12 (26). pp. 6924-6927. ISSN 1463-9076
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Official URL: http://pubs.rsc.org/en/content/articlelanding/2010...
Related URL: http://dx.doi.org/10.1039/C004653C
Abstract
Using density functional theory, we have investigated the structural, electronic and magnetic properties of infinitely periodic organometallic vanadium-anthracene ([V2Ant]∞) and [V4(BNAnt)2]∞ (where BNAnt is B-N analogue of anthracene) for their possible application in spintronics. From our calculations, we find that one-dimensional [V2Ant]∞ and [V4(BNAnt)2]∞ wires exhibit robust ferromagnetic half-metallic and metallic behavior, respectively. The finite sized V6Ant2 and V6(BNAnt)2clusters are also found to exhibit efficient spin filter properties when coupled to grapheneelectrodes on either side.
Item Type: | Article |
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Source: | Copyright of this article belongs to Royal Society of Chemistry. |
ID Code: | 60828 |
Deposited On: | 12 Sep 2011 07:25 |
Last Modified: | 12 Sep 2011 07:25 |
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