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Title: Grain-Boundary Resistance in Copper Interconnects: From an Atomistic Model to a Neural Network

Journal Article · · Physical Review Applied
 [1];  [2];  [3];  [2];  [2];  [4];  [5]
  1. Purdue Univ., West Lafayette, IN (United States). Network for Computational Technology, School of Electrical and Computer Engineering; DOE/OSTI
  2. Purdue Univ., West Lafayette, IN (United States). Network for Computational Technology, School of Electrical and Computer Engineering
  3. Samsung Semiconductor, Inc., San Jose, CA (United States)
  4. Purdue Univ., West Lafayette, IN (United States). Network for Computational Technology, School of Electrical and Computer Engineering; Purdue Univ., West Lafayette, IN (United States). Network for Computational Technology, Birck Nanotechnology Center
  5. Purdue Univ., West Lafayette, IN (United States). Network for Computational Technology, Birck Nanotechnology Center
+ Show Author Affiliations

Orientation effects on the specific resistance of copper grain boundaries are studied systematically with two different atomistic tight-binding methods. A methodology is developed to model the specific resistance of grain boundaries in the ballistic limit using the embedded atom model, tight- binding methods, and nonequilibrium Green’s functions. The methodology is validated against first-principles calculations for thin films with a single coincident grain boundary, with 6.4% deviation in the specific resistance. A statistical ensemble of 600 large, random structures with grains is studied. For structures with three grains, it is found that the distribution of specific resistances is close to normal. Finally, a compact model for grain-boundary-specific resistance is constructed based on a neural network.

Research Organization:
Purdue Univ., West Lafayette, IN (United States)
Sponsoring Organization:
USDOE National Nuclear Security Administration (NNSA)
Grant/Contract Number:
FC52-08NA28617
OSTI ID:
1540705
Journal Information:
Physical Review Applied, Journal Name: Physical Review Applied Journal Issue: 4 Vol. 9; ISSN 2331-7019; ISSN PRAHB2
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (28)

Simulation of grain boundary effects on electronic transport in metals, and detailed causes of scattering journal June 2010
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Choosing ℓp norms in high-dimensional spaces based on hub analysis journal December 2015
A new approach to potential fitting using neural networks journal February 2007
An ab initio investigation on boundary resistance for metallic grains journal August 2010
The conductivity of thin metallic films according to the electron theory of metals journal January 1938
Large Discrete Resistance Jump at Grain Boundary in Copper Nanowire journal August 2010
Electrical Resistivity Model for Polycrystalline Films: the case of Specular Reflection at External Surfaces journal June 1969
Influence of phonon, geometry, impurity, and grain size on Copper line resistivity journal September 2006
A paradigm for interconnect geometry to reduce grain boundary resistance journal December 2006
Resistivity dominated by surface scattering in sub-50 nm Cu wires journal January 2010
Single and multiband modeling of quantum electron transport through layered semiconductor devices journal June 1997
An environment-dependent semi-empirical tight binding model suitable for electron transport in bulk metals, metal alloys, metallic interfaces, and metallic nanostructures. I. Model and validation journal March 2014
The structure of high-angle (001) CSL twist boundaries in f.c.c. metals journal November 1978
Neural-network-assisted genetic algorithm applied to silicon clusters journal March 2003
Calculated Resistances of Single Grain Boundaries in Copper journal October 2014
Electrical-Resistivity Model for Polycrystalline Films: the Case of Arbitrary Reflection at External Surfaces journal February 1970
Accurate and transferable extended Hückel-type tight-binding parameters journal March 2000
Structural stability and lattice defects in copper: Ab initio , tight-binding, and embedded-atom calculations journal May 2001
Density-functional method for nonequilibrium electron transport journal March 2002
Generalized Bloch theorem for complex periodic potentials: A powerful application to quantum transport calculations journal July 2007
Analysis of granular flow in a pebble-bed nuclear reactor journal August 2006
A chemical and theoretical way to look at bonding on surfaces journal July 1988
Lattice parameters, densities, expansion coefficients and perfection of structure of Cu and of Cu–In α phase journal November 1969
Small sample size effects in statistical pattern recognition: recommendations for practitioners journal March 1991
NEMO5: A Parallel Multiscale Nanoelectronics Modeling Tool journal November 2011
Ultrahigh Strength and High Electrical Conductivity in Copper journal April 2004

Cited By (2)

Non-ohmic behavior and resistive switching of Au cluster-assembled films beyond the percolation threshold journal January 2019
Quantitative measurement of contact area and electron transport across platinum nanocontacts for scanning probe microscopy and electrical nanodevices journal November 2018

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74 ATOMIC AND MOLECULAR PHYSICS
Physics