Spin properties of the ultra-short capped single-walled carbon nanotubes (0, 9)

17th Russian Youth Conference on Physics of Semiconductors and Nanostructures, Opto- and Nanoelectronics

Tuchin, A.V.^1 ; Glushkov, G.I.^1 ; Bityutskaya, L.A.^1

Voronezh State University, 1 Universitetskaya sq., Voronezh

394006, Russia^1

关键词: Spin properties;    Spin state;    Spin-up;   

Others  :  https://iopscience.iop.org/article/10.1088/1742-6596/690/1/012026/pdf
DOI  :  10.1088/1742-6596/690/1/012026

来源: IOP

【 摘 要 】

Results of the numerical simulation of the electronic structure of ultra-short single-walled carbon nanotubes (0, 9) of D3h, D3dand D3symmetries at the singlet and triplet spin states were presented. The dependencies of the energy gap, ionization potential, electron affinity and work function on the length of nanotubes at the singlet and triplet spin states were obtained. The analysis of the dimensionally dependent change of the electron density of states and energy gap for electrons with spin up and down allowed to establish the dependence of the spin polarization value on the length and symmetry of nanotubes. It was revealed that the energy required to turn from singlet to triplet is in the IR range that makes ultra-short single-walled carbon nanotubes (0, 9) a promising material for the design of the element base for spintronics and optoelectronics.