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LCAO approach to Mn 2+ in ZnSe
Author(s) -
Biernacki S. W.,
Hamera M.
Publication year - 1977
Publication title -
physica status solidi (b)
Language(s) - Uncategorized
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220790235
Subject(s) - linear combination of atomic orbitals , atomic orbital , electron , chemistry , tensor (intrinsic definition) , atomic physics , physics , materials science , mathematics , quantum mechanics , pure mathematics
LCAO method is used to study the magnetic d‐electrons of Mn 2+ in ZnSe. The splitting Δ of d‐orbitals and the parameters of SHFS tensor are calculated and compared with experimental data.