Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes

  1. Fallaque, J.G.
  2. Rodríguez-González, S.
  3. Martín, F.
  4. Díaz, C.
Aldizkaria:
Journal of Physics Condensed Matter

ISSN: 1361-648X 0953-8984

Argitalpen urtea: 2022

Alea: 34

Zenbakia: 43

Mota: Artikulua

DOI: 10.1088/1361-648X/AC89C4 GOOGLE SCHOLAR