Nano Science and Technology Institute
Nanotech 2008 Vol. 1
Nanotech 2008 Vol. 1
Nanotechnology 2008: Materials, Fabrication, Particles, and Characterization - Technical Proceedings of the 2008 NSTI Nanotechnology Conference and Trade Show, Volume 1
Chapter 2: Nano Materials & Composites

Ab-initio Calculations of Uniaxially and Biaxially Tensile Stress Effect

Authors:Y-K Kim, S-Y Park, T. Won
Affilation:Inha University, KR
Pages:273 - 276
Keywords:ab-initio calculation, Indium, Diffusion, Strained silicon
Abstract:In this paper, we present an ab-initio study on energy configurations, minimum energy path (MEP), and migra-tion energy for neutral indium diffusion in a uniaxial and biaxial tensile strained {100} silicon layer for the first time to our knowledge. Our ab-initio calculation of the elec-tronic structure allowed us to figure out transient atomistic configurations during the indium diffusion in strained sili-con. We employed the nudged elastic band (NEB) method for estimating the MEP between the two structural states. The NEB method teaches us that the diffusion pathway of neutral indium is kept unchanged in strained silicon while the migration energy of indium fluctuates in strained sili-con.
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