title: Tuning the band structure, magnetic and transport properties of the zigzag graphene nanoribbons/hexagonal boron nitride heterostructures by transverse electric field.
abstract: 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.
authors.affiliation: Department of Physics, Don State Technical University, 1 Gagarin Sq, 344000 Rostov on Don, Russia.
authors.forename: V V
authors.initials: VV
authors.lastname: Ilyasov
authors.affiliation: Department of Physics, Don State Technical University, 1 Gagarin Sq, 344000 Rostov on Don, Russia.
authors.forename: B C
authors.initials: BC
authors.lastname: Meshi
authors.affiliation: Department of Physics, Don State Technical University, 1 Gagarin Sq, 344000 Rostov on Don, Russia.
authors.forename: V C
authors.initials: VC
authors.lastname: Nguyen
authors.affiliation: Department of Physics, Don State Technical University, 1 Gagarin Sq, 344000 Rostov on Don, Russia.
authors.forename: I V
authors.initials: IV
authors.lastname: Ershov
authors.affiliation: Department of Electronic Materials, School of Engineering Physics, Hanoi University of Science and Technology, 1 Dai Co Viet Rd, 10000 Hanoi, Vietnam.
authors.forename: D C
authors.initials: DC
authors.lastname: Nguyen