The electronic structure and spin states of 2D graphene/VX2 (X = S, Se) heterostructures

Описание

Тип публикации: статья из журнала

Год издания: 2016

Идентификатор DOI: 10.1039/c6cp06732h

Аннотация: The structural, magnetic and electronic properties of 2D VX2 (X = S, Se) monolayers and graphene/VX2 heterostructures were studied using a DFT+U approach. It was found that the stability of the 1T phases of VX2 monolayers is linked to strong electron correlation effects. The study of vertical junctions comprising of graphene and VXПоказать полностью2 monolayers demonstrated that interlayer interactions lead to the formation of strong spin polarization of both graphene and VX2 fragments while preserving the linear dispersion of graphene-originated bands. It was found that the insertion of Mo atoms between the layers leads to n-doping of graphene with a selective transformation of graphene bands keeping the spin-down Dirac cone intact.

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Издание

Журнал: PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Выпуск журнала: Vol. 18, Is. 48

Номера страниц: 33047-33052

ISSN журнала: 14639076

Место издания: CAMBRIDGE

Издатель: ROYAL SOC CHEMISTRY

Авторы

  • Popov Z.I. (Natl Univ Sci & Technol MISiS, 4 Leninskiy Prospekt, Moscow 119049, Russia)
  • Mikhaleva N.S. (Siberian Fed Univ, Krasnoyarsk 660041, Russia)
  • Visotin M.A. (Siberian Fed Univ, Krasnoyarsk 660041, Russia)
  • Kuzubov A.A. (Siberian Fed Univ, Krasnoyarsk 660041, Russia)
  • Entani S. (Natl Inst Quantum & Radiol Sci, Tokai, Ibaraki 3191195, Japan; Natl Inst Technol, Tokai, Ibaraki 3191195, Japan)
  • Naramoto H. (Natl Inst Quantum & Radiol Sci, Tokai, Ibaraki 3191195, Japan; Natl Inst Technol, Tokai, Ibaraki 3191195, Japan)
  • Sakai S. (Natl Inst Quantum & Radiol Sci, Tokai, Ibaraki 3191195, Japan; Natl Inst Technol, Tokai, Ibaraki 3191195, Japan)
  • Sorokin P.B. (Natl Univ Sci & Technol MISiS, 4 Leninskiy Prospekt, Moscow 119049, Russia; Technol Inst Superhard & Novel Carbon Mat, 7a Cent Naya St, Moscow 142190, Russia)
  • Avramov P.V. (Kyungpook Natl Univ, Dept Chem, Daegu, South Korea)

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