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Title First Principles Approach to Analyze Defect-induced Multiphonon Transition at the Si-SiO2 Interface
Authors 박준성(Junsung Park) ; 홍성민(Sung-Min Hong)
Page pp.145-152
ISSN 1598-1657
Keywords Multi-phonon emission process ; first principles calculation ; density functional theory
Abstract The hole capture coefficients of defects through the non-radiative multiphonon emission process are calculated by using the first principle approach. Defects in the silicon bulk and the Si-SiO2 interface are considered in the calculation. From the defect energy level and the phonon modes, which are calculated by using the density functional theory code, the transition rate is rigorously evaluated. The calculated hole capture parameters of the defect states exhibit physically reasonable behaviors within smaller magnitudes.