Edge and substrate-induced bandgap in zigzag graphene nanoribbons on the hexagonal nitride boron 8-ZGNR/h-BN(0001)

Ilyasov, V. V.; Meshi, B. C.; Nguyen, Van-Quyen; Ершов, И. В.; Nguyen, Danh-Truong

doi:10.1063/1.4821110

Cited by 21 publications

(11 citation statements)

References 29 publications

(40 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The energy gap in the low-energy spectrum of π -electrons in 8-ZGNR on h-BN substrate is 380 meV. 4 Due to the quantum confinement effect, band gap in ZGNRs increases with decreasing nanoribbon width, 1, 5 while for armchair graphene nanoribbons (AGNRs) a band gap oscillations as a function of the width were predicted. 6,7 Significant progress has been achieved in the producing of high-quality 1D graphene channels, such as graphene nanoribbons (GNRs).…”

Section: Introductionmentioning

confidence: 97%

“…[1][2][3] We have demonstrated 4 that ZGNR deposition on hexagonal boron nitride (h-BN(0001) preserves localized states in the proximity of the Fermi level, which are responsible for edge ferromagnetism. The energy gap in the low-energy spectrum of π -electrons in 8-ZGNR on h-BN substrate is 380 meV.…”

Section: Introductionmentioning

confidence: 99%

“…14 Studies on magnetic characteristics in 8-ZGNR/h-BN(0001) heterostructures have revealed that edge C atoms exhibit the highest local magnetic moments (LMM) among C atoms. 4,14 For the ZGNRs on metal substrates (such as Au, Pt, Ni, Cu, Al, Ag, Pd), MMs in ZGNR on s-dominated metal surfaces can be reordered using E ext 22 because of the prevalence of electrostatic interaction between ZGNR and s-dominated surfaces. For ZGNRs on p-and d-dominated metal surfaces, tuning with E ext is less efficient 22 because of strong interaction between carbon π -orbitals and metal substrate during chemical adsorption.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Tuning the band structure, magnetic and transport properties of the zigzag graphene nanoribbons/hexagonal boron nitride heterostructures by transverse electric field

Ilyasov

Meshi

Nguyen

et al. 2014

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

The paper presents the results of ab initio study of the opportunities for tuning the band structure, magnetic and transport properties of zigzag graphene nanoribbon (8-ZGNR) on hexagonal boron nitride (h-BN(0001)) semiconductor heterostructure by transverse electric field (E(ext)). This study was performed within the framework of the density functional theory (DFT) using Grimme's (DFT-D2) scheme. We established the critical values of E(ext) for the 8-ZGNR/h-BN(0001) heterostructure, thereby providing for semiconductor-halfmetal transition in one of electron spin configurations. This study also showed that the degeneration in energy of the localized edge states is removed when E(ext) is applied. In ZGNR/h-BN (0001) heterostructure, value of the splitting energy was higher than one in ZGNRs without substrate. We determined the effect of low E(ext) applied to the 8-ZGNR/h-BN (0001) semiconductor heterostructure on the preserved local magnetic moment (LMM) (0.3μ(B)) of edge carbon atoms. The transport properties of the 8-ZGNR/h-BN(0001) semiconductor heterostructure can be controlled using E(ext). In particular, at a critical value of the positive potential, the electron mobility can increase to 7× 10(5) cm(2)/V s or remain at zero in the spin-up and spin-down electron subsystems, respectively. We established that magnetic moments (MMs), band gaps, and carrier mobility can be altered using E(ext). These abilities enable the use of 8-ZGNR/h-BN(0001) semiconductor heterostructure in spintronics.

show abstract

Section: Introductionmentioning

confidence: 97%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Tuning the band structure, magnetic and transport properties of the zigzag graphene nanoribbons/hexagonal boron nitride heterostructures by transverse electric field

Ilyasov

Meshi

Nguyen

et al. 2014

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

show abstract

“…In addition, the h-BN (0001) substrates induce a band gap and cause insignificant splitting of the bands in 8-ZGNR. 38 Despite these important contributions, developing an effective route to realize the half metallicity of GNRs, especially in the absence of an external electric field, is still a challenge.…”

Section: Introductionmentioning

confidence: 99%

Realizing semiconductor–half-metal transition in zigzag graphene nanoribbons supported on hybrid fluorographene–graphane nanoribbons

Tang

Cao

2014

Phys. Chem. Chem. Phys.

View full text Add to dashboard Cite

Hydrogenation and fluorination provide promising applications for tuning the properties of graphene-based nanomaterials. Using first-principles calculations, we investigate the electronic and magnetic properties of zigzag graphene nanoribbons (ZGNRs) supported on hydrogenated and fluorinated ZGNRs. Our results indicate that the support of zigzag graphane nanoribbon with its full width has less impact on the electronic and magnetic properties of ZGNRs, whereas the ZGNRs supported on fluorographene nanoribbons can be tuned to metal with almost degenerated ferro- and anti-ferromagnetic states due to the intrinsic polarization of substrate. The ZGNRs supported on zigzag hybrid fluorographene-graphane nanoribbons are spin-polarized half-semiconductors with distinct band gaps for spin-up and spin-down channels. Interestingly, in the absence of an external electric field, the spin-polarized band gaps of supported ZGNRs can be well modulated in the opposite direction by changing the ratio of fluorination to hydrogenation concentration in hybrid substrates. Furthermore, the ZGNRs supported on hybrid nanoribbons exhibit the half-semiconducting to half-metallic behavior transition as the interlayer spacing is gradually reduced, which is realized more easily for the hybrid support with a relatively wide fluorographene moiety compared to its narrow counterpart. Present results provide a novel way for designing substrate-supported graphene spintronic devices.

show abstract

“…This result is in good agreement with earlier DFT calculations (0.1797 nm) and lower than the one in w-AlN crystalline structure (0.1872 nm). 15 In the 4-ZGNR/AlNNS bilayer system, our calculations give the distance between the nanoribbon and substrate being d = 0.320 nm. This is different from the tetragonal sp 3 -configuration typical of the 3D w-AlN structure 38 .…”

Section: Atomic Structure and Electronic Properties Of 4-zgnr/alnns Bmentioning

confidence: 85%

Effect of electric field on the electronic and magnetic properties of a graphene nanoribbon/aluminium nitride bilayer system

et al. 2015

View full text Add to dashboard Cite

Effect of an external electric field on the electronic and magnetic properties of the heterostructure of the zigzag graphene nanoribbons (ZGNRs) placed on aluminium nitride nanosheet (AlNNS) is studied by the the density functional theory (DFT). DFT calculations show that the local magnetic moments and total magnetization of edge carbon atoms in the 4-ZGNR/AlNNS with spin up electron subsystem are strongly dependent on a transverse electric field. We can control the band gap of the 4-ZGNR/AlNNS by using an external electric field. We established the critical values of the transverse electric field providing for semiconductor-metal phase transition in spin down electron configuration, which opens potential opportunities for applications in spintronics devices. Effect of an external electric field (both amplitude and direction) on the effective charge and formation of the interface state energy is also studied and discussed.Spin moments of two ZGNR edges in the singlet ground state are known to show antiferromagnetic (AF) ordering. 6,23 The AF ordering of edge states in ZGNRs has been recently disputed in the previous works. 24,25 In our opinion, the discussion of that question remains open. Quantum confinement effects and interedge super-exchange interaction in ZGNRs offer an opportunity to alter their electronic and magnetic properties. The AF-ZGNRs is semiconducting. 1,11,26,27 Magnetism characteristics in such systems as the 8-ZGNR/h-BN revealed that the edge C atoms in ZGNR have highest local magnetic moments (LMMs) in comparison to other C atoms. 11,15 Based on the DFT calculations, 13,27 it has been shown that an electric field crossing the width of ZGNRs can effectively cancel spin energy degeneracy of two edges and makes ZGNRs spin-selective. The E t can be employed to control J o u r n a l N a me , [ y e a r ] , [ v o l . ] , 1-8 | 1

show abstract

Edge and substrate-induced bandgap in zigzag graphene nanoribbons on the hexagonal nitride boron 8-ZGNR/h-BN(0001)

Cited by 21 publications

References 29 publications

Tuning the band structure, magnetic and transport properties of the zigzag graphene nanoribbons/hexagonal boron nitride heterostructures by transverse electric field

Tuning the band structure, magnetic and transport properties of the zigzag graphene nanoribbons/hexagonal boron nitride heterostructures by transverse electric field

Realizing semiconductor–half-metal transition in zigzag graphene nanoribbons supported on hybrid fluorographene–graphane nanoribbons

Effect of electric field on the electronic and magnetic properties of a graphene nanoribbon/aluminium nitride bilayer system

Contact Info

Product

Resources

About