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Alloy Analogy for the Multi‐Band Hubbard Hamiltonian
Author(s) -
Kotrla M.,
Drchal V.
Publication year - 1987
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.2221440228
Subject(s) - hubbard model , hamiltonian (control theory) , coherent potential approximation , analogy , decoupling (probability) , formalism (music) , physics , invariant (physics) , ground state , alloy , quantum mechanics , mathematical physics , mathematics , electronic structure , chemistry , mathematical optimization , superconductivity , control engineering , engineering , art , musical , linguistics , philosophy , organic chemistry , visual arts
A systematic derivation of the alloy analogy for the multi‐band Hamiltonian of the Hubbard type is given. The formalism, of the Hubbard atomic operators is used and the decoupling procedure is applied to the double‐time Green functions. The solution is equivalent to the coherent potential approximation for a set of effective multi‐component alloys and in the single‐band case it is identical to the Hubbard III solution. The theory is valid both, for crystals and for disordered alloys. It is applicable also for the translationally non‐invariant ground state corresponding e.g. to an arbitrary magnetic ordering.