QC530 : Shahrood University of Technology Faculty of Physics and Nuclear Engineering
Thesis > Central Library of Shahrood University > Physics > PhD > 2020
Authors:
Adeleh Vatankhahan [Author], Tayebeh Movlarooy [Supervisor]
Abstarct: In the recent years,various researchers are focused on the two¬dimensional( 2D) nano material due to the irattractive physical properties and techno¬logicala pplications. Inthisstudy, we chose borophene from among the two-dimensionalm aterials discovered due to its properties such as the strong and very complex bond between boron¬boron, different structures as well as anisotropic spin at the edges of the nanoribbon. In this thesis, the electronic, magnetic and transport properties of borophene nanorib¬bons and nanosheet and the effects of adsorption impurities on the physi¬cal properties of nanoribbons and nanosheet will be investigated. At first, the electronic and magnetic properties of pure borophene nanosheet and adsorbed with transition mextals (CO,Mn,Fe and Ni), have been inves¬tigated by the approach of density functional theory(DFT)and gener¬alized gradient approximation (GGA) with SIESTA computational code. The results show that pure borophene nanosheet and nanoribbon are non¬magnetic and magnetic mextal, respectively. And after adsorbed with tran¬sition mextal atoms can be converted to the magnetic mextal. Using non¬equilibrium Green’s function method (NEGF) by computational TRAN¬SIESTA code, the transport properties of borophene nanoribbons were investigated. The results show that the presence of dangling bondsaf ¬fects the stability and magnetic properties of the nanoribbon. The study of transport properties shows that the highest current associated with spin up in nitrogenated borophene nanoribbon for voltage 0.75volt with acurren to 78μA and the best spinfiltering for nitrogenated borophene nanoribbon with filtering of 64.5% at a voltage of 0.6 volts. baxsed on this study results, it is possible to achieve microampere current and64.5%. Spinfiltering for the nitrogenated borophene nanoribbon without apply¬ing magnetic contamination.
Keywords:
#borophene nanoribbon #borophene nanosheet #spintron¬ics #SIESTA code #Density functional theory (DFT) #TRANSIESTAcode #Non-EquilibriumGreen’sFunction(NEGF) Keeping place: Central Library of Shahrood University
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