Ab initio calculations of the alloy resistivities of lattice-matched and lattice-mismatched metla pairs: Influence of local-impurity-induced distortions

P.X. Xu, K. Xia

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Abstract

We compare ab initio calculations of the alloy resistivities for both lattice-matched metal pairs, such as AlAg, AlAu, and AgAu, and lattice-mismatched pairs, such as CuPd, AgPd, AuPd, CuAg, and CuAu, with experimental data. Most of the calculations are nicely consistent with the experimental data. Local impurity-induced distortions are found to be important for lattice-mismatched alloy systems. This result implies that calculations of transport through interfaces (with structures more complex than in alloys) are likely to be sensitive to interfacial structure
Original languageUndefined
Pages (from-to)184206-1-184206-6
Number of pages6
JournalPhysical review B: Condensed matter and materials physics
Volume74
Issue number18
DOIs
Publication statusPublished - 2006

Keywords

  • METIS-236973
  • IR-74273

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