Article, 2017

The spectral adjustment in nanoscale transport combined with the density functional based tight binding method

COMPUTATIONAL MATERIALS SCIENCE, ISSN 0927-0256, Volume 133, Pages 14-21, 10.1016/j.commatsci.2017.02.031

Contributors

Khalili, Khadijeh 0000-0002-2166-0636 (Corresponding author) [1] Penazzi, Gabriele 0000-0001-6116-156X [2] [3] Frauenheim, Thomas [3]

Affiliations

  1. [1] Univ Mazandaran, Dept Solid State Phys, Babol Sar 4741695447, Iran
    2. [NORA names: Iran; Asia, Middle East];
  2. [2] QuantumWise AS, Fruebjergvej 3, DK-2100 Copenhagen, Denmark
    3. [NORA names: Other Companies; Private Research; Denmark; Europe, EU; Nordic; OECD];
  3. [3] Univ Bremen, Bremen Ctr Computat Mat Sci, Fallturm 1, DE-28359 Bremen, Germany
    4. [NORA names: Germany; Europe, EU; OECD]

Abstract

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Keywords

Density functional based tight-binding, Single molecule, Spectral adjustment, Transport properties

Data Provider: Clarivate

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