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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

Content Provider	Springer Nature Link
Author	Kim, Young Kyu Cho, Bum Goo Park, Soon Yeol Won, Taeyoung
Copyright Year	2009
Abstract	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 {100} 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$_{i}$ $^{pTd}$, 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.
Starting Page	99
Ending Page	102
Page Count	4
File Format	PDF
ISSN	12298557
Journal	International Journal of Precision Engineering and Manufacturing
Volume Number	10
Issue Number	1
e-ISSN	20054602
Language	English
Publisher	Korean Society for Precision Engineering
Publisher Date	2009-07-15
Publisher Place	Springer
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Ab initio calculation Indium Migration energy Diffusion pathway Strained silicon Stress effects Materials Science Industrial and Production Engineering
Content Type	Text
Resource Type	Article
Subject	Industrial and Manufacturing Engineering Mechanical Engineering Electrical and Electronic Engineering

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Ab-initio calculations of indium migration in uniaxial strained silicon.

First principle study of stress effects on indium diffusion in uniaxially and biaxially strained silicon

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Ab-Initio Calculations of Indium Migration in Uniaxial Strained Silicon

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Ab-initio Study with Transition State Theory (TST) for the Calculation of the Barrier Height of Migration Energy of Neutral Indium in Silicon

Ab-initio study with transition state theory (tst) for the calculation of the barrier height of migration energy of neutral indium in silicon.

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Investigation of indium diffusion in strained silicon by ab initio calculation

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