Atomistic modelling for boron diffusion in strained silicon substrate
| Autor: | Young-Kyu Kim, Joong-Sik Kim, Han-Geon Kim, Taeyoung Won, Kwan-Sun Yoon |
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| Rok vydání: | 2008 |
| Předmět: |
inorganic chemicals
Materials science Silicon General Chemical Engineering chemistry.chemical_element Thermodynamics Strained silicon Germanium General Chemistry Substrate (electronics) Condensed Matter Physics Thermal diffusivity Mole fraction chemistry Computational chemistry Modeling and Simulation General Materials Science Kinetic Monte Carlo Boron Information Systems |
| Zdroj: | Molecular Simulation. 34:41-45 |
| ISSN: | 1029-0435 0892-7022 |
| Popis: | We discuss the issue of boron diffusion in biaxial tensile strained {001} Si and SiGe layer with kinetic Monte Carlo (KMC) method. We created strain in silicon by artificially adding a germanium mole fraction to the silicon in order to perform a theoretical analysis. The strain energy of the charged defects was calculated from ab initio calculation whereas the diffusivity of boron was extracted from the Arrhenius formula. Hereby, the influence of the germanium content on the diffusivity of the impurity atom was estimated. Our KMC study revealed that the diffusion of the boron atoms was retarded with increasing germanium mole fraction in the strained silicon layer. Furthermore, we derived the functional dependence of the in-plane strain as well as the out-of-plane strain as a function of the germanium mole fraction, which is based on the distribution of equivalent stress along the Si/SiGe interface. |
| Databáze: | OpenAIRE |
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