Premium
The noble gas atoms as impurities in silicon
Author(s) -
Chacham H.,
Alves J. L. A.,
De Siqueria M. L.,
Leite J. R.
Publication year - 1986
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560300732
Subject(s) - neon , dangling bond , argon , silicon , atomic physics , noble gas , helium , impurity , chemistry , krypton , physics , organic chemistry
Ground state one‐electron energies have been calculated for the substitutional and interstitial helium, neon, and argon impurities in silicon by use of the self‐consistent‐field multiple‐scattering X α method within the framework of the Watson‐sphere‐terminated molecular cluster model. The substitutional noble gas atoms are found to inhibit the rebonding of the first neighbor's dangling bonds through orthogonality repulsion. The interstitial nobel gas atoms induce empty shallow levels close to the bottom of the conduction band. We tentatively relate these levels to the emission bands observed for silicon crystals implanted with helium, neon, and argon.