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Intrinsic half‐metallicity of the Stone–Wales edge reconstructed graphene nanoribbons
Author(s) -
Park SukYoung,
Moon Kyungsun,
Rhim JunWon
Publication year - 2015
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201451306
Subject(s) - zigzag , condensed matter physics , graphene , ground state , antiferromagnetism , coulomb , graphene nanoribbons , ferromagnetism , enhanced data rates for gsm evolution , phase transition , materials science , physics , nanotechnology , geometry , atomic physics , quantum mechanics , telecommunications , mathematics , computer science , electron
Inspired by recent experimental observation of topological line defects along graphene edges, we study the electronic and magnetic properties of the zigzag graphene nanoribbons with Stone–Wales (SW) edge reconstructions. Since the bipartite nature of graphene is broken along the boundary layer due to the SW defects, the ground state exhibits two competing phases. By increasing the onsite Coulomb interaction U above a critical value, the paramagnetic ground state makes a transition to an edge ferromagnetic phase, which is followed by a subsequent transition to an edge antiferromagnetic phase upon further increase of U . We have also demonstrated that for a zigzag graphene nanoribbon with a single SW edge reconstruction, the ground state becomes an intrinsic half‐metal for a realistic parameter range of U .