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On the possibility of negative U systems for transition metals impurities in semiconductors
Author(s) -
Mota Ronaldo,
Fazzio Adalberto
Publication year - 1987
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.560320710
Subject(s) - impurity , semiconductor , condensed matter physics , transition metal , formalism (music) , anderson impurity model , lattice (music) , electron , materials science , chemistry , chemical physics , physics , quantum mechanics , catalysis , art , musical , biochemistry , acoustics , visual arts , optoelectronics
Using the Haldane–Anderson formalism we study the possibility of obtaining a negative U system for transition metal impurities in semiconductors. We propose, even without including electron‐lattice interaction, the occurrence of negative‐U as a consequence of the impurity‐host hybridization to explain why some oxidation states would be missing in these systems.