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Directional dependence of the electronic and transport properties of biphenylene under strain conditions.

Danilo P KuritzaRoberto Hiroki MiwaJosé Eduardo Padilha
Published in: Physical chemistry chemical physics : PCCP (2024)
In this study, we investigated the electronic and electronic transport properties of biphenylene (BPN) using first-principles density functional theory (DFT) calculations combined with the non-equilibrium Green's function (NEGF) formalism. We have focused on understanding the electronic properties of BPN, and the anisotropic behavior of electronic transport upon external strain. We found the emergence of electronic stripes (ESs) on the BPN surface and the formation of type-II Dirac cone near the Fermi level. In the sequence, the electronic transport results reveal that such ESs dictate the anisotropic behavior of the transmission function. Finally, we show that the tuning of the (anisotropic) electronic current, mediated by external mechanical strain, is ruled by the energy position of the lowest unoccupied states with wave-vectors perpedicular to the ESs. This control could be advantageous for applications in nanoelectronic devices that require precise control of current direction.
Keyphrases
  • density functional theory
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  • molecular dynamics simulations
  • high resolution
  • gene therapy