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Investigation of Indium Diffusion in Strained Silicon by ab initio Calculation
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  • Investigation of Indium Diffusion in Strained Silicon by ab initio Calculation
  • Investigation of Indium Diffusion in Strained Silicon by ab initio Calculation
저자명
Kim. Young-Kyu,Cho. Bum-Goo,Park. Soon-Yeol,Won. Tae-Young
간행물명
International journal of precision engineering and manufacturing
권/호정보
2009년|10권 1호|pp.99-102 (4 pages)
발행정보
한국정밀공학회
파일정보
정기간행물|ENG|
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이 논문은 한국과학기술정보연구원과 논문 연계를 통해 무료로 제공되는 원문입니다.
서지반출

기타언어초록

This paper presents the results of our ab initio study of energy configurations, minimum energy path (MEP), and migration energy for neutral indium diffusion in a uniaxially and biaxially tensile-strained {l00} silicon layer. Our ab initio calculation of the electronic structure allowed determination of the transient atomic configurations during indium diffusion in strained silicon. We found that the lowest energy structure (InS-${Si_i}^{Td}$) consists of indium located on a substitutional site while stabilizing the silicon self-interstitial in a nearby tetrahedral position. Our ab initio calculation implied that the next lowest energy structure is ${In_i}^{Td}$, the interstitial indium at the tetrahedral position. We used the nudged elastic band method to estimate the MEP between the two structures. Or results indicated that the diffusion pathway of neutral indium remains unchanged, while the migration energy of indium fluctuates in strained silicon.