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    Spin effect on band structure of zigzag and armchair graphene nanoribbones with Stone-Wales defect

    , Article 2013 21st Iranian Conference on Electrical Engineering ; May , 2013 , Page(s): 1 - 4 ; 9781467356343 (ISBN) Faez, R ; Barami, S ; Sharif University of Technology
    In this paper the band structure of spin polarized zigzag graphene nanoribbons(ZGNRs) and armchair graphene nanoribons(AGNRs) with Stone-Wales defect are investigated. The results show when the spin effect is considered, the band structures of ZGNRs and AGNRs will be changed and modified. A larger gap will be created and the degenerate bands in ZGNRs will become far from each other. Tight-binding and hubard model were used to simulate the band structures  

    Magnetization of bilayer graphene with interplay between monovacancy in each layer

    , Article Journal of Applied Physics ; Volume 114, Issue 8 , 2013 ; 00218979 (ISSN) Rostami, M ; Faez, R ; Rabiee Golgir, H ; Sharif University of Technology
    Effects of introducing two monovacancies in bilayer graphene are investigated by using spin-polarized density functional theory. Each layer of bilayer graphene has a monovacancy. Two different classifications are studied, namely, AA and AB. In AA category, vacancies in upper layer and lower layer are chosen from the same sublattices (A or B). However, in AB category, vacancies are selected from the different sublattices (A and B). Two different structures of every classification are examined in order to investigate the effects of two monovacancies on structural, electronic, and magnetic properties of bilayer graphene. Structural optimization reveals that introducing a monovacancy in every... 

    Properties of charge and magnetic impurities in a spin-polarized electron gas: A semiclassical approach

    , Article Physica E: Low-Dimensional Systems and Nanostructures ; Volume 28, Issue 3 , 2005 , Pages 313-322 ; 13869477 (ISSN) Shokri, A. A ; Esfarjani, K ; Sharif University of Technology
    Analytical studies on the effect of charge and magnetic impurities in a spin-polarized electron gas (SPEG) are carried out using a Thomas-Fermi semiclassical approximation (TFSA). The susceptibility matrix of an SPEG is calculated within the TFSA framework. Charge, spin and mixed charge-spin screening lengths are defined and calculated for the bulk metals (Fe, Co and Ni). It is found that these screening lengths do not strongly depend on temperature in metallic samples. Based on the Ruderman-Kittel-Kasuya-Yoshida (RKKY) model, the magnetic response function is then used to calculate the dependence of the exchange coupling between two ferromagnetic layers. It is seen that the exchange... 

    Spin relaxation in graphene nanoribbons in the presence of substrate surface roughness

    , Article Journal of Applied Physics ; Volume 120, Issue 5 , 2016 ; 00218979 (ISSN) Chaghazardi, Z ; Babaee Touski, Sh ; Pourfath, M ; Faez, R ; Sharif University of Technology
    American Institute of Physics Inc 
    In this work, spin transport in corrugated armchair graphene nanoribbons (AGNRs) is studied. We survey combined effects of spin-orbit interaction and surface roughness, employing the non-equilibrium Green's function formalism and multi-orbitals tight-binding model. Rough substrate surfaces have been statistically generated and the hopping parameters are modulated based on the bending and distance of corrugated carbon atoms. The effects of surface roughness parameters, such as roughness amplitude and correlation length, on spin transport in AGNRs are studied. The increase of surface roughness amplitude results in the coupling of σ and π bands in neighboring atoms, leading to larger spin... 

    Thermally induced spin-dependent current based on Zigzag Germanene Nanoribbons

    , Article Physica E: Low-Dimensional Systems and Nanostructures ; Volume 86 , 2017 , Pages 175-183 ; 13869477 (ISSN) Majidi, D ; Faez, R ; Sharif University of Technology
    Elsevier B.V  2017
    In this paper, using first principle calculation and non-equilibrium Green's function, the thermally induced spin current in Hydrogen terminated Zigzag-edge Germanene Nanoribbon (ZGeNR-H) is investigated. In this model, because of the difference between the source and the drain temperature of ZGeNR device, the spin up and spin down currents flow in the opposite direction with two different threshold temperatures (Tth). Hence, a pure spin polarized current which belongs to spin down is obtained. It is shown that, for temperatures above the threshold temperature spin down current increases with the increasing temperature up to 75 K and then decreases. But spin up current rises steadily and in... 

    Comparing half-metallic, MOKE, and thermoelectric behavior of the CrTiZ (Z = As, P) half-Heuslers: A DFT study

    , Article Materials Research Express ; Volume 8, Issue 4 , 2021 ; 20531591 (ISSN) Sadeghi, M ; Zelati, A ; Boochani, A ; Arman, A ; Mirzaei, S ; Sharif University of Technology
    IOP Publishing Ltd  2021
    Structural, half-metallic, magneto-optic, and thermoelectric properties of CrTiZ (Z = As, P) half-Heusleres compounds are investigated based on density functional theory. These compounds have mechanical stability in the ferromagnetic state with a high bulk modulus. They are often half-metallic with a large and integer magnetic moment and are very attractive in spintronics, magneto-optics applications. The magnetic moments of CrTiAs and CrTiP were 2.9865 μB and 3.00 μB, respectively, which were attributed to their ferromagnetic phase. Additionally, the positive sign of the phonon branches indicates the dynamic stability of these compounds. Applying both GGA and mBJ approximations, CrTiAs and... 

    First principles study of oxygen adsorption on nickel-doped graphite

    , Article Molecular Physics ; Volume 110, Issue 13 , Feb , 2012 , Pages 1437-1445 ; 00268976 (ISSN) Nahali, M ; Gobal, F ; Sharif University of Technology
    Density functional theory is used in a spin-polarized plane wave pseudopotential implementation to investigate molecular oxygen adsorption and dissociation on graphite and nickel-doped graphite surfaces. Molecular oxygen physisorbs on graphite surface retaining its magnetic property. The calculated adsorption energy is consistent with the experimental value of 0.1eV. It is found that substituting a carbon atom of the graphite surface by a single doping nickel atom (2.8% content) makes the surface active for oxygen chemisorption. It is found that the molecular oxygen never adsorbs on doping nickel atom while it adsorbs and dissociates spontaneously into atomic oxygens on the carbon atoms...