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

doi:10.1063/1.3606536

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

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

7 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 language	English (US)
Article number	013106
Journal	Applied Physics Letters
Volume	99
Issue number	1
DOIs	https://doi.org/10.1063/1.3606536
State	Published - Jul 4 2011

Funding

P.A. thanks IBM for a fellowship and the US-Israel Binational Foundation for partial support. This study was supported by the Semiconductor Research Corporation through Task No. 1441.001 and the Korea Science and Engineering Foundation (KOSFET) through the Basic Science Programs for General Research Grant (No. 2009-0076318). APT measurements were performed in the Northwestern University Center for Atom-Probe Tomography (NUCAPT).

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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@article{7343cb4156f04ca99ef0a1806ce29d46,

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

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.",

author = "Zugang Mao and Kim, \{Yeong Cheol\} and Lee, \{Hi Deok\} and Praneet Adusumilli and Seidman, \{David N.\}",

note = "Funding Information: P.A. thanks IBM for a fellowship and the US-Israel Binational Foundation for partial support. This study was supported by the Semiconductor Research Corporation through Task No. 1441.001 and the Korea Science and Engineering Foundation (KOSFET) through the Basic Science Programs for General Research Grant (No. 2009-0076318). APT measurements were performed in the Northwestern University Center for Atom-Probe Tomography (NUCAPT).",

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doi = "10.1063/1.3606536",

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T1 - NiSi crystal structure, site preference, and partitioning behavior of palladium in NiSi(Pd)/Si(100) thin films

T2 - Experiments and calculations

AU - Mao, Zugang

AU - Kim, Yeong Cheol

AU - Lee, Hi Deok

AU - Adusumilli, Praneet

AU - Seidman, David N.

N1 - Funding Information: P.A. thanks IBM for a fellowship and the US-Israel Binational Foundation for partial support. This study was supported by the Semiconductor Research Corporation through Task No. 1441.001 and the Korea Science and Engineering Foundation (KOSFET) through the Basic Science Programs for General Research Grant (No. 2009-0076318). APT measurements were performed in the Northwestern University Center for Atom-Probe Tomography (NUCAPT).

PY - 2011/7/4

Y1 - 2011/7/4

N2 - 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.

AB - 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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JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 1

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ER -

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

Abstract

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