2007
DOI: 10.1063/1.2821112
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Will zigzag graphene nanoribbon turn to half metal under electric field?

Abstract: At B3LYP level of theory, we predict that the half-metallicity in zigzag edge graphene nanoribbon (ZGNR) can be realized when an external electric field is applied across the ribbon. The critical electric field decreases with the increase of the ribbon width to induce the half-metallicity. Both the spin polarization and half-metallicity are removed when the edge state electrons fully transferred from one side to the other under very strong electric field. The electric field range under which ZGNR remains half-… Show more

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Cited by 315 publications
(243 citation statements)
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“…Before the calculations of our system, some tests were done on the ZGNRs, using the E ext method and the GGA approximation with the PBE functionals. Our tests showed that E ext effect obtained from the GGA was significantly larger than that from the local density approximation (LDA); this was consistent 9 with previous observations 33, 34 . For example, the critical value of E ext for half-metallicity in 16-ZGNR in our GGA calculations was ∼ 0.55 V/Å, which was much larger than that from LDA calculations (∼ 0.20 V/Å), and the difference agreed with previous works 33, 34 .…”
Section: Homogeneous External Electric Fields For Modulating Propertisupporting
confidence: 93%
“…Before the calculations of our system, some tests were done on the ZGNRs, using the E ext method and the GGA approximation with the PBE functionals. Our tests showed that E ext effect obtained from the GGA was significantly larger than that from the local density approximation (LDA); this was consistent 9 with previous observations 33, 34 . For example, the critical value of E ext for half-metallicity in 16-ZGNR in our GGA calculations was ∼ 0.55 V/Å, which was much larger than that from LDA calculations (∼ 0.20 V/Å), and the difference agreed with previous works 33, 34 .…”
Section: Homogeneous External Electric Fields For Modulating Propertisupporting
confidence: 93%
“…Therefore, the C B @h-BN system shows half-metallicity with respect to the previously reported graphene-based systems. [24,[57][58][59][60][61][62] Such ah alf-metallic system is importantf or spintronics applications as the spin-flip transition is not possible due to thermale xcitation. [9] Further to this, we also solved band folding [63] fort he C B @h-BN systemu sing a2 2 1s upercell (128 atoms;F igure S6 c).…”
Section: C@h-bnmentioning
confidence: 99%
“…The use of external electric field is known to strongly affect the electronic properties of other materials [15][16][17]. To verify the feasibility of this proposal, we carry out first principles density functional theory (DFT) calculations for model SMTJs, (Ga,Mn)As/GaAs/(Ga,Mn)As under electric field.…”
Section: Calculation Detailsmentioning
confidence: 99%