2017
DOI: 10.1063/1.4983072
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Ab Initio evaluation of electron transport properties of Pt, Rh, Ir, and Pd nanowires for advanced interconnect applications

Abstract: The electronic and structural properties of nanowires composed of either Pt, Ir, Rh, or Pd are calculated using density functional theory and a non-equilibrium Green's function scattering approach. The results for these nanowires are compared with Cu nanowires of comparable dimensions and evaluated for potential use in interconnect technology applications. The cohesive energies of the Pt, Rh and Ir nanowires are found to be stronger than the corresponding value for bulk Cu, indicating superior structural integ… Show more

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Cited by 52 publications
(46 citation statements)
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“…Table II summarizes the computed specific resistivity and reflection coefficient for grain boundaries Σ3, Σ5, Σ9, and Σ11. Like many other fcc metals, we see that for both Ru and Cu, the reflection coefficients follow the trend that r Σ3 r Σ11 < r Σ5 ≈ r Σ9 , which can be understood by examining the symmetry and void structure of the interface of each grain boundary [22]. Notably, for each grain boundary studied here, the reflection coefficient for Ru is much larger than that for Cu indicating that grain boundary scattering plays a much larger role in the resistance of fcc Ru lines.…”
Section: Grain Boundary Scatteringsupporting
confidence: 58%
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“…Table II summarizes the computed specific resistivity and reflection coefficient for grain boundaries Σ3, Σ5, Σ9, and Σ11. Like many other fcc metals, we see that for both Ru and Cu, the reflection coefficients follow the trend that r Σ3 r Σ11 < r Σ5 ≈ r Σ9 , which can be understood by examining the symmetry and void structure of the interface of each grain boundary [22]. Notably, for each grain boundary studied here, the reflection coefficient for Ru is much larger than that for Cu indicating that grain boundary scattering plays a much larger role in the resistance of fcc Ru lines.…”
Section: Grain Boundary Scatteringsupporting
confidence: 58%
“…The conductance of the structure is proportional to the cross-sectional area of the device, so we report the areanormalized specific resistivity γ = A/G as is standard practice in the literature [18,20,22,23,31,32].…”
Section: Device Simulationsmentioning
confidence: 99%
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