• Journal of the Korean Institute of Electrical and Electronic Material Engineers
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• v.22 no.5
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• pp.377-381
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• 2009

Tetragonal-NiSi (010)/Si superstructures were calculated for studying the interface structure using density functional theory, The orthorhombic-NiSi was changed to the tetragonal-NiSi to be matched with the Si surface for epitaxy interface. The eight interface models were produced by the type of the Si surfaces, The tetragonal-NiSi (010)/Si (020)[00-1] superstructure was energetically the most favorable, and the interface thickness of this superstructure was the shortest among the tetragonal-NiSi (010)/Si superstructures. However, in the case of tetragonal-NiSi (010)/Si (010)[00-1] superstructure, it was energetically the most unfavorable, and the interface thickness was the longest. The energies and interface thicknesses of tetragonal-NiSi (010)/Si superstructures were influenced by the coordination number of Ni atoms and the bond length between atoms located at the interface.

• Korean Journal of Materials Research
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• v.18 no.9
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• pp.482-485
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• 2008

Tetragonal-$Ni_{1-x}Pd_x$Si/Si (001) structure was studied by using density functional theory (DFT). An epitaxial interface between $2{\times}2{\times}4$ (001) tetragonal-NiSi supercell and $1{\times}1{\times}2$ (001) Si supercell was first constructed by adjusting the lattice parameters of B2-NiSi structure to match those of the Si structure. We chose Ni atoms as a terminating layer of the B2-NiSi; the equilibrium gap between the tetragonal-NiSi and Si was calculated to be 1.1 ${\AA}$. The Ni atoms in the structure moved away from the original positions along the z-direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The two Ni sites at the interface have 6 and 7 coordination numbers. The Ni sites with coordination number 6 at the interface were located farther away from the interface, and were more favorable for Pd substitution.

• Journal of the Semiconductor & Display Technology
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• v.7 no.4
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• pp.41-44
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• 2008

NiSi is less stable than the previously-used $CoSi_2$ at high temperature. Some noble metals, such as Pd and Pt, have been added to NiSi to improve its thermal stability. We employed a first principles calculation to understand the Pd segregation at the interface. An orthorhombic structure of NiSi was used to construct an orthorhombic-NiSi/Si (010). Lattice parameters along a- and c-axes in orthorhombic-NiSi were matched with those of Si for epitaxy contact. The optimized $1\times4\times1$ orthorhombic-NiSi (010) and $1\times2\times1$ Si (010) superstructures were put together to construct the orthorhombic-NiSi/Si (010), and the superstructure was relieved in calculation to minimize its total free energy. The optimized interface thickness of the superstructure was $1.59\AA$. Pd atom was substituted in Ni and Si sites located near interface. Both Ni and Si sites located at the interface were favorable for Pd substitution.

• Korean Journal of Metals and Materials
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• v.46 no.12
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• pp.830-834
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• 2008

NiSi is currently being employed in 45 nm CMOS devices as a contact material. We employed a first principles calculation to understand the movements of atoms when Co, Pd, and Pt were added to tetragonal-NiSi on Si (001). The Ni atoms in the tetragonal-NiSi/Si (001) favored away from the original positions along positive c-direction in a systematic way during the energy minimization. Two different Ni sites were identified at the interface and the bulk, respectively. The Ni site at the interface farther away from the interface was more favorable for Pd and Pt substitution. Co, however, prafered the bulk site to the interface site, unlike Pd and Pt.

• Proceedings of the Korean Institute of Electrical and Electronic Material Engineers Conference
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• 2008.11a
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• pp.107-108
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• 2008

We calculated orthorhombic-NiSi (010)/Si superstructure. Orthorhombic-NiSi was changed to tetragonal structure to be matched with Si substrate. Eight models were produced by the type of Si substrate. In the case of orthorhombic-NiSi (010)/Si (020)[00-1], it was the most favorable energetically and the shortest of the distance between two superstructures. However, in the case of orthorhombic-NiSi (010)/Si (010)[00-1], it was the most unfavorable energetically and the longest of the distance. The energy and distance of orthorhombic-NiSi (010)/Si superstructure were changed by the coordination number of Ni atom and the bond length of atom-atom at the interface.

• Journal of the Korean Ceramic Society
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• v.37 no.4
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• pp.381-387
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• 2000

Si3N4/stainless steel 316 joints with Ni buffer layer were fabricated by direct active brazing method (DIB) using Ag-Cu-Ti brazing alloy only and double brazing method (DOB) using Ag-Cu brazing alloy with Si3N4 pretreated with Ag-Cu-Ti brazing alloy. For the joint brazed by DIB method, Ti was segregated at the Si3N4/brazing alloy interface, but was not enough to form a stable joint interface. In addition, large amounts of Ni-Ti inter-metallic compounds were formed in tehbrazing alloy near the joint interface, which could deplete the contents of Ti involved in the interfacial reaction. However, for the joint brazed by DOB method, segregation of Ti at the joint interface were enough to enhance the formation of stable interfacial reaction products such as TiN and Ti-Si-Ni-N-(Cu) multicompounds, which restricted the formation of Ni-Tio inter-metallic compounds in the brazing alloy during brazing with Ni buffer layer. Fracture strength of Si3N4/S.S 316 joints with Ni buffer layer was much improved by using DOB method rather than DIB method. It could be deduced that the differences of fracture strength of the joint with Ni buffer layer depending on brazing process adapted were directly affected by the formation of stable joint interface and the change in microstructure of the brazing alloy near the joint interface. It was found that fracture strength of Si3N4/S.S 316 joints with Ni buffer layer was gradually reduced as the thickness of interface. It was found that fracture strength of Si3N4/S.S 316 joints with Ni buffer layer was gradually reduced as the thickness of Ni buffer layer in the joint was increased from 0.1 mm to 10 mm. It seems to due to the increased residual stress in the joint as the thickness of Ni buffer layer is increased. The maximum fracture strength of Si3N4/S.S 316 joints with Ni buffer layer was 386 MPa, and the fracture of joint was originated at Si3N4/brazing alloy joint interface and propagated into Si3N4 matrix.

• Korean Journal of Materials Research
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• v.11 no.2
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• pp.71-75
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• 2001

The reaction stability of nickel with side-wall materials of SiO$_2$ and Si$_3$N$_4$ on p-type 4"(100) Si substrate were investigated. Ni on 1300 $\AA$ thick SiO$_2$ and 500 $\AA$ - thick Si$_3$N$_4$ were deposited. Then the samples were annealed at 400, 500, 750 and 100$0^{\circ}C$ for 30min, and the residual Ni layer was removed by a wet process. The interface reaction stability was probed by AES depth Profiling. No reaction was observed at the Ni/SiO$_2$ and Ni/Si$_3$N$_4$, interfaces at 400 and 50$0^{\circ}C$. At 75$0^{\circ}C$, no reaction occurred at Ni/SiO$_2$ interface, while $NiO_x$ and Si$_3$N$_4$ interdiffused at Ni/Si$_3$N$_4$ interface. At 100$0^{\circ}C$, Ni layers on SiO$_2$ and Si$_3$N$_4$ oxidized into $NiO_x$ and then $NiO_x$ interacted with side-wall materials. Once $NiO_x$ was formed, it was not removed in wet etching process and easily diffused into sidewall materials, which could lead to bridge effect of gate-source/drain.

• Journal of the Korean Crystal Growth and Crystal Technology
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• v.6 no.1
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• pp.62-72
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• 1996

The interface formation and reaction-product morphology between SiC and thin metal films were studied at temperatures between 550 and $1450^{\circ}C$ for various times. The typical reaction layer sequence was CoSi/CoSi+C/CoSi/CoSi+C/ $\cdots$ /SiC reaction at 1050 and $1250^{\circ}C$ for 2 h, while $Ni_2Si/Ni_2Si+C/Ni_2Si/Ni_2Si+C/ {\cdots} /SiC$ at 950 and 105$0^{\circ}C$ for 2 h. Carbon precipitated preferentially on the outer surface and crystallized as graphite above $1450^{\circ}C$ for SiC/Co reaction zone and $1250^{\circ}C$ for SiC/Ni. The mechanism of the periodic band structure formation with carbon precipitation behaviour was discussed in terms of thermodynamic considerations.

• Journal of the Semiconductor & Display Technology
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• v.6 no.4
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• pp.65-68
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• 2007

An epitaxial NiSi structure on Si (001) substrate was studied by using density functional theory (DFT). Orhorhombic and B2-NiSi structures were compared first. B2 structure was further considered as it has same crystal structure as Si and the lattice mismatch between B2 and Si is small, compared to orthorhombic-NiSi. The lattice parameters of x- and y-direction in B2-NiSi structure were modified to match with those in Si (001). The size reduction of the lattice parameter of B2-NiSi to match with that of Si increased the lattice parameter of z-direction by 10.5%. Therefore, we propose that an optimum structure of NiSi for epitaxial growth on Si (001) is a tetragonal structure.

• The Korean Journal of Ceramics
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• v.2 no.1
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• pp.19-24
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• 1996

The phase distribution and interface chemistry by the solid-state reaction between SiC and nickel were studied at temperatures between $550 \;and\; 1250^{\circ}C$ for 0.5-100 h. The reaction with the formation of silicides and carbon was first observed above $650^{\circ}C$. At $750^{\circ}C$, as the reaction proceeded, the initially, formed $Ni_3Si_2$ layer was converted to $Ni_2$Si. The thin nickel film reacted completely with SiC after annealing at $950^{\circ}C$ for 2 h. The thermodynamically stable $Ni_2$Si is the only obsrved silicide in the reaction zone up to $1050^{\circ}C$. The formation of $Ni_2$Si layers with carbon precipitates alternated periodically with the carbon free layers. At temperatures between $950^{\circ}C$ and $1050^{\circ}C$, the typical layer sequences in the reaction zone is determined by quantitative microanalysis to be $SiC/Ni_2$$Si+C/Ni_2$$Si/Ni_2$$Si+C/…Ni_2$Si/Ni(Si)/Ni. The mechanism of the periodic band structure formation with the carbon precipitation behaviour was discussed in terms of reaction kinetics and thermodynamic considerations. The reaction kinetics is proposed to estimate the effective reaction constant from the parabolic growth of the reaction zone.