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Title: Intrinsic spin dependent and ferromagnetic stability on edge saturated zigzag graphene-like carbon-nitride nanoribbons

Using first-principles calculations, we have investigated the electronic and magnetic properties of zigzag graphene-like carbon-nitride nanoribbons (Zg-CNNRs) with mono- and dihydrogen-terminated edges asymmetrically. The results demonstrate that spin-down channel completely dominates the states adjacent Fermi level, which is an intrinsic feature and can be accounted for the valence band maximum derived from the nonbonding N-(p{sub x},p{sub y}) orbitals, instead of the bonding C/N-p{sub z} π state. Importantly, ferromagnetic ordering is found to be preferred and the magnetism is entirely localized on the N sites of saturated edge due to its stronger electronegativity. Additionally, various edge saturations are further proposed to try to enhance the ferromagnetic ordering and to manipulate the magnetism distributions of Zg-CNNRs.
Authors:
; ; ; ;  [1] ;  [2] ;  [3]
  1. International Joint Research Laboratory for Quantum Functional Materials of Henan and School of Physics and Engineering, Zhengzhou University, Zhengzhou 450001 (China)
  2. Department of Chemistry, University College London, London WCIH OAJ (United Kingdom)
  3. (China)
Publication Date:
OSTI Identifier:
22267711
Resource Type:
Journal Article
Resource Relation:
Journal Name: Applied Physics Letters; Journal Volume: 104; Journal Issue: 17; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 77 NANOSCIENCE AND NANOTECHNOLOGY; CARBON NITRIDES; ELECTRONEGATIVITY; FERMI LEVEL; FERROMAGNETISM; GRAPHENE; MAGNETIC PROPERTIES; NANOSTRUCTURES; SPIN