Analyzing the Impact of Grain Boundary Scattering on the Metal Resistivity: First-Principles Study of Symmetric Tilt Grain Boundaries in Copper

  • Hemant DixitEmail author
  • Aniruddha Konar
  • Rajan Pandey
  • Jin Cho
  • Francis Benistant
Conference paper
Part of the Springer Proceedings in Physics book series (SPPHY, volume 215)


Using first-principles density functional theory based transport calculations, we evaluate the grain boundary reflection coefficients in Copper (Cu). We find that the grain boundary reflections can significantly enhance the metal resistivity in Cu interconnects. Later, using the Mayadas-Shatzkes model, we predict the possible enhancement of the metal resistivity due to the grain boundary scattering. These results identify the critical role of grain boundary reflection in polycrystalline Cu. Further, the implications of the grain boundary resistance for shrinking interconnect dimensions are discussed.


  1. 1.
    D. Stradi et al., General atomistic approach for modeling metal-semiconductor interfaces using density functional theory and nonequilibrium Green’s function. Phys. Rev. B 93(15), 155302 (2016)ADSCrossRefGoogle Scholar
  2. 2.
    J.M. Soler et al., The SIESTA method for ab initio order-N materials simulation. J. Phys.: Condens. Matter 14(11), 2745–2779 (2002)ADSGoogle Scholar
  3. 3.
    Home | QuantumWise. [Online]. Available:
  4. 4.
    D. Gall, Electron mean free path in elemental metals. J. Appl. Phys. 119(8), 085101 (2016)ADSCrossRefGoogle Scholar
  5. 5.
    Y. Mishin et al., Structural stability and lattice defects in copper: Ab initio, tight-binding, and embedded-atom calculations. Phys. Rev. B 63(22), 224106 (2001)ADSCrossRefGoogle Scholar
  6. 6.
    T.-H. Kim et al., Large discrete resistance jump at grain boundary in copper nanowire. Nano Lett. 10(8), 3096–3100 (2010)ADSCrossRefGoogle Scholar
  7. 7.
    M. Cesar, D. Liu, D. Gall, H. Guo, Calculated resistances of single grain boundaries in copper. Phys. Rev. Appl. 2(4), 044007 (2014)ADSCrossRefGoogle Scholar

Copyright information

© Springer Nature Switzerland AG 2019

Authors and Affiliations

  • Hemant Dixit
    • 1
    Email author
  • Aniruddha Konar
    • 1
  • Rajan Pandey
    • 1
  • Jin Cho
    • 2
  • Francis Benistant
    • 3
  1. 1.GLOBALFOUNDRIES Engineering Private LimitedBengaluruIndia
  3. 3.GLOBALFOUNDRIESSingaporeSingapore

Personalised recommendations