The First-Priniple Simulation Study on the Specific Grain Boundary Resistivity in Copper Interconnects

Lee, J., Lamarche, M. and Georgiev, V. P. (2019) The First-Priniple Simulation Study on the Specific Grain Boundary Resistivity in Copper Interconnects. In: 2018 IEEE 13th Nanotechnology Materials & Devices Conference (NMDC 2018), Portland, OR, USA, 14-17 Oct 2018, ISBN 9781538610169 (doi: 10.1109/NMDC.2018.8605907)

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In this work, we present a systematic simulation study of numerous copper (Cu) grain boundaries with the nonequilibrium Green's function (NEGF) framework based on the Density Functional Theory (DFT). In order to evaluate the effect of specific resistivity of various grain boundary profiles we developed the required methodology and we proposed an analytical equation for predicting the specific resistivity at each GB configuration. Moreover, in this work we also considered different crystal transport orientations and coincidence site lattices. Based on our simulations, we found that the specific grain boundary resistivity strongly depends on the transport orientations of the grains but not on the coincidence site lattice (CSL) density.

Item Type:Conference Proceedings
Glasgow Author(s) Enlighten ID:Lee, Jaehyun and Georgiev, Professor Vihar
Authors: Lee, J., Lamarche, M., and Georgiev, V. P.
College/School:College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering
Published Online:10 January 2019
Copyright Holders:Copyright © 2018 IEEE
First Published:First published in 2018 IEEE 13th Nanotechnology Materials and Devices Conference (NMDC)
Publisher Policy:Reproduced in accordance with the publisher copyright policy
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Project CodeAward NoProject NamePrincipal InvestigatorFunder's NameFunder RefLead Dept
427901Integrated self-pumped optical frequency conversion and generation in semiconductor waveguidesDavid HutchingsEngineering and Physical Sciences Research Council (EPSRC)EP/E009972/1ENG - ENGINEERING ELECTRONICS & NANO ENG
3023770Quantum Simulator for Entangled Electronics (QSEE)Vihar GeorgievEngineering and Physical Sciences Research Council (EPSRC)EP/S001131/1ENG - Electronics & Nanoscale Engineering