Title: Effect of Coulomb correlations on one-dimensional monatomic nanowire

Authors: Piyush Dua; Arvind K. Jain; Sandeep Sharma; Anoop K. Jain

Addresses: Center for Superfunctional Materials, Department of Chemistry, Pohang University of Science and Technology, San 31, Hyeojadong, Namgu, Pohang 790-784, Korea; Department of Applied Sciences, Vidya College of Engineering, Baghpat Road, Meerut, UP, India ' Department of Chemistry, Ansal Institute of Technology, Sec–55, Gurgaon, Haryana, India ' Nanak Chand Shiksha Niketan, Tilak Road, Begum Bridge, Meerut, UP, India ' K.N.G.D. Modi Engineering College, Modinagar 201204, UP, India

Abstract: The experimental realisation of one-dimensional (1D) monatomic chains of transition elements has opened a new route to study the magnetism in nanostructures in the field of condensed matter physics. We studied a so-called extended Hubbard model which includes all the off-diagonal matrix elements of Coulomb interactions, to explain the phenomenon of ferromagnetism in 1D monatomic chain of itinerant ferromagnets like Fe, Co and Ni. We have used the Green's function equation of motion approach to get energy eigenvalue of quasi-particle. Within the mean field approximation, among the off-diagonal matrix elements, the effect of correlated hopping is very crucial, because the magnitude is larger than exchange interaction. Therefore, in 1D itinerant ferromagnets, the ferromagnetism is driven by combined effect of band splitting and band narrowing/broadening. As a result of it, for the systems with less than half filled band, the up spin band gets broadened and down spin band narrowed down and vice versa for more than half filled band systems. From available Density Functional Theory (DFT) results it can be seen that up spin channel is present for conduction near Fermi level in the systems with less than half filled band and vice versa for more than half filled band systems. This effect is more pronounced in the presence of external magnetic field. Presence of one spin channel is one of the requirements for spintronic devices. The obtained results are in good agreement with existing DFT results.

Keywords: nanostructures; electron-electron interactions; band narrowing; nanomaterials; nanotechnology; Coulomb correlations; monatomic nanowires; magnetism; nanomagnetism; extended Hubbard model; ferromagnetism; spin channels; spintronic devices.

DOI: 10.1504/IJNT.2012.049458

International Journal of Nanotechnology, 2012 Vol.9 No.10/11/12, pp.961 - 971

Published online: 04 Oct 2012 *

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