The fabrication of spin-logic circuits
at the nanoscale is essential for both research and industrial purposes.
Half-metallic systems play a key role in the development of these
nanostructure devices in terms of energy efficiency and accuracy because
of 100% spin polarization. Inspired from the recent literature on
transition-metal iodides, here, we have proposed transition-metal
iodide-based nanowires. The transition-metal halide-based nanowires
are experimentally known from a long-time (Poineau, F.; Rodriguez,
E. E.; Forster, P. M.; Sattelberger, A. P.; Cheetham, A. K.; Czerwinski,
K. R. J. Am. Chem. Soc.
2009,
131, 910–911). Here, among all the nanowires, the
vanadium-based nanowire is proposed to be ferromagnetic and half-metallic.
The most important thing that comes out in the picture is the strong
metal–metal interaction. Here, transition-metal dimer plays
a crucial role in determining the intriguing electronic and magnetic
properties. With the help of crystal orbital Hamilton population analysis,
we have tried to explain the role of a spin dimer in the formation
of the magnetic ground state. An increase in ferromagnetic exchange
coupling is also observed with the applied tensile strain. Furthermore,
the transport calculations reveal a nearly 100% spin-polarized current
in the half-metallic system.