Issue 12, 2009
From the journal:

Journal of Materials Chemistry

Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters†

Sairam S. Mallajosyula,a   Prakash Paridaa  and  Swapan K. Pati*a  

* Corresponding authors

a Theoretical Sciences Unit, Jawaharlal Nehru Center for Advanced Scientific Research, Bangalore, India
E-mail: pati@jncasr.ac.in
Fax: +91 80 22082767
Tel: +91 80 22082839

Abstract

Using density functional theory, we have investigated the electronic and magnetic properties of finite-size as well as infinitely periodic organometallic vanadium-borazine systems (Vn(B3N3H6)n + 1 for their possible applications in spintronics devices. From our calculations, we find the Vn(B3N3H6)n + 1 systems to be structurally more stable in comparison to their isoelectronic benzene counterparts (Vn(C6H6)n + 1). All the Vn(B3N3H6)n + 1 systems are found to be ferromagnetically stabilized, with the infinite one-dimensional [V(B3N3H6)]∞ wire exhibiting robust half-metallic behaviour. The Vn(B3N3H6)n + 1clusters are also found to exhibit efficient spin filter properties when coupled to graphene electrodes.

Graphical abstract: Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters

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Article information

DOI
https://doi.org/10.1039/B810089F
Article type
Paper
Submitted
16 Jun 2008
Accepted
24 Oct 2008
First published
28 Nov 2008

J. Mater. Chem., 2009,19, 1761-1766

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Organometallic vanadium-borazine systems: efficient one-dimensional half-metallic spin filters

S. S. Mallajosyula, P. Parida and S. K. Pati, J. Mater. Chem., 2009, 19, 1761 DOI: 10.1039/B810089F

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