NiSi crystal structure, site preference, and partitioning behavior of palladium in NiSi(Pd)/Si(100) thin films: Experiments and calculations

Zugang Mao, Yeong Cheol Kim, Hi Deok Lee, Praneet Adusumilli, David N. Seidman*

*Corresponding author for this work

Research output: Contribution to journalArticle

5 Scopus citations

Abstract

The crystal structure of a NiSi thin-film on a Si substrate and Pd site-substitution in NiSi and the partitioning behavior of Pd for NiSi(Pd)/Si(100) are investigated by x-ray diffraction (XRD), first-principles calculations, and atom-probe tomography (APT). The NiSi layer is a distorted orthorhombic structure from XRD patterns via experiments and calculations. We find that Pd has a strong driving force, 0.72 eV atom-1, for partitioning from Si into the orthorhombic NiSi layer. The calculated substitutional energies of Pd in NiSi indicate that Pd has a strong preference for Ni sublattice-sites, which is in agreement with concentration profiles determined by APT.

Original languageEnglish (US)
Article number013106
JournalApplied Physics Letters
Volume99
Issue number1
DOIs
StatePublished - Jul 4 2011

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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