Predictive Model for B Diffusion in Strained SiGe Based on Atomistic Calculations

Autor:	Chihak Ahn, Scott T. Dunham, Jakyoung Song
Rok vydání:	2006
Předmět:	Materials science Alloy chemistry.chemical_element Function (mathematics) engineering.material Kinetic energy Thermal diffusivity Molecular physics Stress (mechanics) chemistry Lattice monte carlo engineering Diffusion (business) Boron
Zdroj:	MRS Proceedings. 913
ISSN:	1946-4274 0272-9172
Popis:	Using an extensive series of first principles calculations, we have developed general models for the change in energy of boron migration state via interstitial mechanism as a function of local alloy configuration. The model is based on consideration of both global strain compensation as well as local effects due to nearby arrangement of Ge atoms. We have performed KLMC (Kinetic Lattice Monte Carlo) simulations based on change in migration energy to explain the reduced B diffusion in strained SiGe and compared our results to experimental observations. These models include significant effects due to both global stress and local chemical effects, and accurately predict the B diffusivity measured experimentally in strained SiGe on Si as a function of Ge content.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3d1bf927dcb1f046a5ebbfa7d872c9d7 https://doi.org/10.1557/proc-0913-d05-07 Zobrazit plný text záznamu Full text from SpringerLink