Electronic and magnetic properties of BNC ribbons

Nakamura, Jun; Nitta, Toshihiro; Natori, Akiko

doi:10.1103/physrevb.72.205429

Cited by 143 publications

(148 citation statements)

References 15 publications

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“…It is not surprising to find that all hydrogen passivated BNNR as well as bare a-BNNR are predicted to be large band gap insulators, as shown in Table 1 (results for the h-BN sheet are also shown for comparison.) 28 The fact that the band gap in these systems is smaller than the one of the two-dimensional h-BN sheet has been already discussed by Nakamura et al 13 These authors found that due to edge effects, the band gap in passivated BNNR decreases slightly with the ribbon width. Notably, we find that bare zz-BNNRs are metallic.…”

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confidence: 84%

Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties

2008

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We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons.Our calculations predict that all the magnetic configurations studied in this work are thermally accessible at room temperature and present an energy gap. In particular, we show that the high spin state, with a magnetic moment of 1 µ B at each edge atom, presents a rich spectrum of electronic behaviors as it can be controlled by applying an external electric field in order to obtain metallic ↔ semiconducting ↔ halfmetallic transitions.

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confidence: 84%

Magnetic Boron Nitride Nanoribbons with Tunable Electronic Properties

2008

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“…2,36 When this happens, it is not obvious a priori what happens to the edge states, even at the single particle level, and the associated magnetism. DFT calculations indicate that boron nitride (BN) zigzag ribbons with the edge atoms passivated with hydrogen are nonmagnetic, 37,38 whereas graphene ribbons, deposited on boron nitride whose lattice parameter is shifted to match graphene, indicate that edge magnetism survives. 39 These DFT calculations suggest that as the sublattice symmetry breaking potential increases, a phase transition must occur from magnetic to nonmagnetic edges.…”

Section: Introductionmentioning

confidence: 99%

Interplay between sublattice and spin symmetry breaking in graphene

Soriano

Fernández-Rossier

2012

Phys. Rev. B

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We study the effect of sublattice symmetry breaking on the electronic, magnetic, and transport properties of two-dimensional graphene as well as zigzag terminated one-and zero-dimensional graphene nanostructures. The systems are described with the Hubbard model within the collinear mean field approximation. We prove that for the noninteracting bipartite lattice with an unequal number of atoms in each sublattice, in-gap states still exist in the presence of a staggered on-site potential ± /2. We compute the phase diagram of both 2D and 1D graphene with zigzag edges, at half filling, defined by the normalized interaction strength U/t and /t, where t is the first neighbor hopping. In the case of 2D we find that the system is always insulating, and we find the U c ( ) curve above which the system goes antiferromagnetic. In 1D we find that the system undergoes a phase transition from nonmagnetic insulator for U < U c ( ) to a phase with ferromagnetic edge order and antiferromagnetic interedge coupling. The conduction properties of the magnetic phase depend on and can be insulating, conducting, and even half-metallic, yet the total magnetic moment in the system is zero. We compute the transport properties of a heterojunction with two magnetic graphene ribbon electrodes connected to a finite length armchair ribbon and we find a strong spin filter effect.

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“…The role and the manifestation of the edge character in transport and electronic properties of XN nanoribbons have been addressed in a number of previous studies [26,32,[34][35][36][37][38] . Here we mainly restricted our studies to a 3-ZAlNNR due to the fact that zigzag edges have been found to display more interesting properties than armchair edges in AlNNRs, e.g.…”

Section: Resultsmentioning

confidence: 99%