Open AccessELECTRONIC STRUCTURES OF CHALCOGENIDE PAIRS IN Si
Author(s) -
Weimin Hu,
Gu Yi-Ming,
Ren Shang-Yuan
Publication year - 1986
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.35.1582
Subject(s) - chalcogenide , hamiltonian (control theory) , electronic structure , materials science , state (computer science) , ground state , spectral line , molecular physics , condensed matter physics , crystallography , atomic physics , optoelectronics , physics , chemistry , computer science , quantum mechanics , mathematics , algorithm , mathematical optimization
The electronic structures of the ground states of S0 Se0 and Te0 pairs in Si are invesgated using the Green's function method with a tight binding Hamiltonian. Three different opinions are discussed. (S0)2, (Se0)2 or (Te0)2 in Si will introduce a symmetrical A1g state and an anti-symmetrical A2u state in the gap, both are fully occupied, the observed state is the shallower A1g state. The theoretical reason why the symmetrical A1g, state is higher than the antisymmetrical A2u state is analysed. The measured g factor of (Se2)+ in Si and the experimental data of ESR spectra for (S2)+ and (Se2)+ in Si also support the conclusions of the present paper.