Spin-Polarized Current in Ferromagnetic Half-Metallic Transition-Metal Iodide Nanowires

Abstract

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. © Copyright 2019 American Chemical Society.