Browse > Article
http://dx.doi.org/10.4313/JKEM.2009.22.5.377

Structural Study of Interface Layers in Tetragonal-NiSi (010)/Si using Density Functional Theory  

Kim, Dae-Hee (한국기술교육대학교 신소재공학과)
Kim, Dae-Hyun (한국기술교육대학교 신소재공학과)
Seo, Hwa-Il (한국기술교육대학교 정보기술공학부)
Kim, Yeong-Cheol (한국기술교육대학교 신소재공학과)
Publication Information
Journal of the Korean Institute of Electrical and Electronic Material Engineers / v.22, no.5, 2009 , pp. 377-381 More about this Journal
Abstract
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.
Keywords
DFT calculation; Orthorhombic-NiSi; Tetragonal-NiSi; Interface layer;
Citations & Related Records
Times Cited By KSCI : 2  (Citation Analysis)
연도 인용수 순위
1 G. Kresse and J. Furthmuller, 'Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set', Comput. Mat. Sci., Vol. 6, p. 15, 1996   DOI   ScienceOn
2 G. Kresse and J. Furthmuller, 'Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set', Phys. Rev. B, Vol. 54, p. 11169, 1996   DOI   ScienceOn
3 G. Kresse and D. Joubert, 'From ultra pseudopotentials th the projector augmented- wave method', Phys. Rev. B, Vol. 59, p. 1758, 1999   DOI   ScienceOn
4 P. Pulay, 'Convergence acceleration of iterative sequences: The case of SCF iteration', Chem. Phys. Lett., Vol. 73, p. 393, 1980   DOI   ScienceOn
5 Y. Imai and A. Watanabe, 'Electronic structures of platinum group elements silicides calculated by a first-principle pseudopotential method using plane-wave basis', J. Alloys & Compounds, Vol. 417, p. 173, 2006   DOI   ScienceOn
6 K. Momma and F. Izumi, 'VESTA: a three-dimensional visualization system for electronic and structural analysis', J. Appl. Crystallogr., Vol. 41, p. 653, 2008   DOI   ScienceOn
7 G. Kresse and J. Hafnrt, 'Ab initio molecular dynamics for liquid metals', Phys. Rev. B, Vol. 47, p. 558, 1993; ibid. Vol. 49, p. 14251, 1994   DOI   ScienceOn
8 G. Kresse and J. Hafnrt, 'Ab initio molecular dynamics for liquid metals', Phys. Rev. B, Vol. 49, p. 14251, 1994   DOI   ScienceOn
9 J. P. Gambino and E. G. Colgan, 'Silicides and ohmic contacts', Mat. Chem. Phys., Vol. 52, p. 99, 1998   DOI   ScienceOn
10 T. Morimoto, T. Ohguro, H. S. Momose, T. Iinuma, I. Kunishima, K. Suguro, I. Katakabe, H. Nakajima, M. Ono, Y. Katsumata, and H. Iwai, 'Self-aligned nickel-mono-silicide technology for high-speed deep submicrometer logic CMOS ULSI', IEEE Trans. Electron. Dev., Vol. 42, p. 915, 1995   DOI   ScienceOn
11 Front End Process, International Technology Roadmap semiconductors, 2005
12 B. Cafra, A. Alberti, L. Ottaviano, C. Bongiorno, G. Mannino, T. Kammler, and T. Feudel, 'Thermal stability of nickel silicide on silicon on insulator (SOI) material', Mat. Sci. Eng. B, Vol. 114, p. 228, 2004   DOI   ScienceOn
13 Y.-C. Kim, P. Adusumilli, L. J. Lauhon, D. N. Seidman, S.-Y. Jung, H.-D. Lee, R. L. Alvis, R. M. Ulfig, and J. D. Olson, 'Three-dimensional atomic-scale mapping of Pd in $Ni_{1-x}Pd_xSi/Si$(100) thin films', Appl. Phys. Lett., Vol. 91, p. 113106, 2007   DOI   ScienceOn
14 D.-H. Kim, H.-I. Seo, and Y.-C. Kim, 'Structural study of epitaxial NiSi on Si (001) substrate by using density functional theory (DFT)', J. Kor. Soc. of Semi. Equi. Tech., Vol. 6, p. 65, 2007   과학기술학회마을
15 G. Profeta, S. Picozzi, A. Continenza, and R. Podloucky, 'Supersoft silicides: Ab initio study of (001) TSi surface and (001) Si/TSi (T = Fe, Co, and Ni) interface', Phys. Rev. B, Vol. 70, p. 235338, 2004   DOI   ScienceOn
16 D.-H. Kim, H.-I. Seo, and Y.-C. Kim, 'Structural study of tetragonal-$Ni_{1-x}Pd_xSi/Si$(001) using density functional theory (DFT)', J. Kor. Mat. Res., Vol. 18, p. 482, 2008   과학기술학회마을   DOI   ScienceOn