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Ab initio study of birefringent porous silicon
Author(s) -
Bonder Yuri,
Wang Chumin
Publication year - 2005
Publication title -
physica status solidi (a)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.532
H-Index - 104
eISSN - 1862-6319
pISSN - 1862-6300
DOI - 10.1002/pssa.200461181
Subject(s) - birefringence , dangling bond , supercell , refractive index , ab initio , silicon , anisotropy , porous silicon , absorption (acoustics) , optical anisotropy , density functional theory , materials science , ab initio quantum chemistry methods , hydrogen , condensed matter physics , molecular physics , chemistry , computational chemistry , optics , molecule , composite material , optoelectronics , physics , organic chemistry , thunderstorm , meteorology
Optical properties of birefringent porous‐silicon layers are studied within the density functional theory. Starting from a (110)‐oriented supercell of 32 silicon atoms, elliptic columns of atoms in [100] and [010] directions are removed. The dangling bonds are saturated with hydrogen atoms. The results show an in‐plane anisotropy in the refractive index and in the absorption coefficient, i.e., a birefringence response. The difference Δ n defined as $ n_{[1\bar 10]} $ – $ n_{[001]} $ is compared with experimental data and a good agreement is observed. Also, the calculated absorption coefficients behave very closely to the measured ones. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)