Premium
Peierls‐Extended Hubbard Model Study on an Organic– Inorganic Bipartite Lozenge Ferrimagnetic Chain
Author(s) -
Yao K.L.,
Duan Y.F.,
Zhao L.
Publication year - 2002
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 - 10.1002/1521-3951(200211)234:2<628::aid-pssb628>3.0.co;2-6
Subject(s) - ferrimagnetism , condensed matter physics , charge density , hubbard model , coulomb , spin (aerodynamics) , ground state , chemistry , charge (physics) , exchange interaction , density functional theory , ferromagnetism , electron , physics , computational chemistry , quantum mechanics , magnetic field , magnetization , superconductivity , thermodynamics
A Peierls‐extended Hubbard model is used to study the possible high‐spin ground state of a quasi‐one‐dimensional organic–inorganic bipartite lozenge ferrimagnetic chain. Considering the electron–phonon (e–ph) coupling and electron–electron (e–e) interaction, the distribution of charge density, the ferrimagnetic order and the stability of the high‐spin ground state are studied in detail. It is shown that the nearest‐neighboring Coulomb repulsion leads to the transfer of the charge density and spin density between sites A and B, and the spin density is modulated by the charge density. The on‐site e–e interaction makes the antiferromagnetically correlated distribution of spin density along the chain stronger while the e–e repulsion between the nearest‐neighboring sites makes it weaker.