Journal of the Semiconductor & Display Technology (반도체디스플레이기술학회지)

The Korean Society Of Semiconductor & Display Technology (한국반도체디스플레이기술학회)
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Effect of Pd addition on nickel silicide : ab initio calculation

Nickel silicide에 대한 Pd 첨가 효과 : ab initio 계산

  • Kim, Dae-Hee (School of Information Technology, Korea University of Technology and Education) ;
  • Seo, Hwa-Il (School of Information Technology, Korea University of Technology and Education) ;
  • Kim, Yeong-Cheol (Dept. Materials Engineering, Korea University of Technology and Education)
  • 김대희 (한국기술교육대학교 정보기술공학부) ;
  • 서화일 (한국기술교육대학교 정보기술공학부) ;
  • 김영철 (한국기술교육대학교 신소재공학과)
  • Published : 2008.03.31
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Abstract

Effect of Pd addition on crystal structures of two nickel silicides, NiSi and $NiSi_2$, is investigated by using an ab initio calculation. A Pd atom substitutes a Ni and Si site, respectively, to evaluate the preferable site between them. Pd prefers Ni site to Si site in NiSi, while it prefers Si site to Ni site in $NiSi_2$. The calculated total energy also indicates that the Pd substitution to Si site stabilizes the $NiSi_2$ structure. This calculated data matches well with the experimental data obtained from Atom probe.

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