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Type Mao, Zugang; Kim, Yeong-Cheol; Lee, Hi-Deok; Adusumilli, Praneet; Seidman, David N.
  Publication NiSi crystal structure, site preference, and partitioning behavior of palladium in NiSi(Pd)/Si(100) thin films: Experiments and calculations Volume Journal Article
Pages 2011
  Abstract Applied Physics Letters  
  Corporate Author  
Publisher 99  
Editor 1
  Summary Language 013106 Series Editor ab initio calculations; crystal structure; metallic thin films; nickel alloys; palladium alloys; silicon alloys; tomography; X-ray diffraction  
Abbreviated Series Title 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.
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0003-6951 no NU @ karnesky @ ref10.1063/1.3606536 11169
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