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Electronic structure of point defects in antiferromagnetic insulating cuprates
Author(s) -
Loktev V. M.,
Prosandeev S. A.,
Tarasevich Yu. Yu.
Publication year - 1992
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221740114
Subject(s) - antiferromagnetism , cuprate , condensed matter physics , impurity , ion , doping , copper , electronic structure , materials science , physics , quantum mechanics , metallurgy
The energies and wave functions of impurity (defect) states which appear in the energy gap of La 2 CuO 4 due to doping are calculated by the unrestricted Hartree‐Fock method. It is shown that the state vectors have such a structure that localized carriers (holes) can occupy not only oxygen ions but also copper ones.