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

Nano Materials & Composites Chapter 2

Ab-initio Calculations of Uniaxially and Biaxially Tensile Stress Effect

Authors: Y-K Kim, S-Y Park, T. Won

Affilation: Inha University, Korea

Pages: 273 - 276

Keywords: ab-initio calculation, Indium, Diffusion, Strained silicon

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.

ISBN: 978-1-4200-8503-7
Pages: 1,118
Hardcopy: $159.95