Journal
PHYSICAL REVIEW APPLIED
Volume 9, Issue 4, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevApplied.9.044005
Keywords
-
Categories
Funding
- FAME Center, one of six centres of STARnet, a Semiconductor Research Corporation program - MARCO
- DARPA
- U.S. Department of Energy National Nuclear Security Administration [DE-FC52-08NA28617]
- National Science Foundation [ACI 1238993]
Ask authors/readers for more resources
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.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available