Magnetic moments of the dimeric multielectronic mixed valence clusters in the dynamic model of intermediate vibronic coupling

B. S. Tsukerblat; A. V. Palii; H. M. Kishinevsky; V. Y. Gamurar; A. S. Berengol’Ts

doi:10.1080/00268979200101911

Magnetic moments of the dimeric multielectronic mixed valence clusters in the dynamic model of intermediate vibronic coupling

B. S. Tsukerblat, A. V. Palii, H. M. Kishinevsky, V. Y. Gamurar, A. S. Berengol’Ts

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19 Scopus citations

Abstract

The vibronic problem of the pseudo-Jahn-Teller effect in multielectronic dimeric mixed valence clusters is discussed. The numerical diagonalization of the vibronic Hamiltonian is carried out using the intermediate coupling basis set. The temperature dependence of the magnetic moments of symmetric and distorted dimeric mixed valence clusters are derived. It is shown that vibronic coupling can suppress double exchange and lead to an antiferromagnetic ground state. Cases when the adiabatic approach leads to mistakes in describing of the ground state spin are discussed. It is shown that distortions of dimeric cluster which remove the inversion centre, lead to suppression of the ferromagnetic effect caused by double exchange.

Original language	English
Pages (from-to)	1103-1117
Number of pages	15
Journal	Molecular Physics
Volume	76
Issue number	5
DOIs	https://doi.org/10.1080/00268979200101911
State	Published - 1 Jan 1992
Externally published	Yes

ASJC Scopus subject areas

Biophysics
Molecular Biology
Condensed Matter Physics
Physical and Theoretical Chemistry

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title = "Magnetic moments of the dimeric multielectronic mixed valence clusters in the dynamic model of intermediate vibronic coupling",

abstract = "The vibronic problem of the pseudo-Jahn-Teller effect in multielectronic dimeric mixed valence clusters is discussed. The numerical diagonalization of the vibronic Hamiltonian is carried out using the intermediate coupling basis set. The temperature dependence of the magnetic moments of symmetric and distorted dimeric mixed valence clusters are derived. It is shown that vibronic coupling can suppress double exchange and lead to an antiferromagnetic ground state. Cases when the adiabatic approach leads to mistakes in describing of the ground state spin are discussed. It is shown that distortions of dimeric cluster which remove the inversion centre, lead to suppression of the ferromagnetic effect caused by double exchange.",

author = "Tsukerblat, {B. S.} and Palii, {A. V.} and Kishinevsky, {H. M.} and Gamurar, {V. Y.} and Berengol{\textquoteright}Ts, {A. S.}",

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T1 - Magnetic moments of the dimeric multielectronic mixed valence clusters in the dynamic model of intermediate vibronic coupling

AU - Tsukerblat, B. S.

AU - Palii, A. V.

AU - Kishinevsky, H. M.

AU - Gamurar, V. Y.

AU - Berengol’Ts, A. S.

PY - 1992/1/1

Y1 - 1992/1/1

N2 - The vibronic problem of the pseudo-Jahn-Teller effect in multielectronic dimeric mixed valence clusters is discussed. The numerical diagonalization of the vibronic Hamiltonian is carried out using the intermediate coupling basis set. The temperature dependence of the magnetic moments of symmetric and distorted dimeric mixed valence clusters are derived. It is shown that vibronic coupling can suppress double exchange and lead to an antiferromagnetic ground state. Cases when the adiabatic approach leads to mistakes in describing of the ground state spin are discussed. It is shown that distortions of dimeric cluster which remove the inversion centre, lead to suppression of the ferromagnetic effect caused by double exchange.

AB - The vibronic problem of the pseudo-Jahn-Teller effect in multielectronic dimeric mixed valence clusters is discussed. The numerical diagonalization of the vibronic Hamiltonian is carried out using the intermediate coupling basis set. The temperature dependence of the magnetic moments of symmetric and distorted dimeric mixed valence clusters are derived. It is shown that vibronic coupling can suppress double exchange and lead to an antiferromagnetic ground state. Cases when the adiabatic approach leads to mistakes in describing of the ground state spin are discussed. It is shown that distortions of dimeric cluster which remove the inversion centre, lead to suppression of the ferromagnetic effect caused by double exchange.

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JO - Molecular Physics

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IS - 5

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Magnetic moments of the dimeric multielectronic mixed valence clusters in the dynamic model of intermediate vibronic coupling

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