Exchange-transfer in mixed-valence clusters with one migrating hole

J. J. Borrás-Almenar; E. Coronado; R. Georges; A. V. Palii; B. S. Tsukerblat

doi:10.1016/0009-2614(95)01344-X

Exchange-transfer in mixed-valence clusters with one migrating hole

J. J. Borrás-Almenar, E. Coronado, R. Georges, A. V. Palii, B. S. Tsukerblat

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Abstract

A new mechanism for exchange-transfer specific to hole-type mixed-valence clusters is proposed. The intermediate state in the second-order exchange-transfer process is achieved by the jump of the electron from the spin-core of the dⁿ⁺¹ ion into the empty orbital of the dⁿ ion. As distinguished from the mixed-valence clusters with one delocalized electron this intermediate state is the high-spin one giving rise to a ferromagnetic contribution to the ground manifold. On the basis of angular momentum theory a general solution of the exchange-transfer problem is given for arbitrary nuclearity mixed-valence hole-type clusters with many-electron paramagnetic spin-cores. The interplay between the double exchange, exchange-transfer and Heisenberg exchange is considered in detail for the simple case of a d²-d²-d¹ trimer.

Original language	English
Pages (from-to)	7-14
Number of pages	8
Journal	Chemical Physics Letters
Volume	249
Issue number	1-2
DOIs	https://doi.org/10.1016/0009-2614(95)01344-X
State	Published - 26 Jan 1996
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/0009-2614(95)01344-X

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@article{d0e9c98fb6ef4703ba77a43df2ca8861,

title = "Exchange-transfer in mixed-valence clusters with one migrating hole",

abstract = "A new mechanism for exchange-transfer specific to hole-type mixed-valence clusters is proposed. The intermediate state in the second-order exchange-transfer process is achieved by the jump of the electron from the spin-core of the dn+1 ion into the empty orbital of the dn ion. As distinguished from the mixed-valence clusters with one delocalized electron this intermediate state is the high-spin one giving rise to a ferromagnetic contribution to the ground manifold. On the basis of angular momentum theory a general solution of the exchange-transfer problem is given for arbitrary nuclearity mixed-valence hole-type clusters with many-electron paramagnetic spin-cores. The interplay between the double exchange, exchange-transfer and Heisenberg exchange is considered in detail for the simple case of a d2-d2-d1 trimer.",

author = "Borr{\'a}s-Almenar, {J. J.} and E. Coronado and R. Georges and Palii, {A. V.} and Tsukerblat, {B. S.}",

note = "Funding Information: This work was supported by the Spanish DGIGYT (PB91-0652) and by the European Union (Network on Magnetic Molecular Materials). AVP thanks the Ministerio de Educacion y Ciencia for a postdoctoral fellowship. BST thanks the Universitat de Valencia for financial support. We thank the CIUV for the use of its computational resources.",

year = "1996",

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doi = "10.1016/0009-2614(95)01344-X",

language = "English",

volume = "249",

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TY - JOUR

T1 - Exchange-transfer in mixed-valence clusters with one migrating hole

AU - Borrás-Almenar, J. J.

AU - Coronado, E.

AU - Georges, R.

AU - Palii, A. V.

AU - Tsukerblat, B. S.

N1 - Funding Information: This work was supported by the Spanish DGIGYT (PB91-0652) and by the European Union (Network on Magnetic Molecular Materials). AVP thanks the Ministerio de Educacion y Ciencia for a postdoctoral fellowship. BST thanks the Universitat de Valencia for financial support. We thank the CIUV for the use of its computational resources.

PY - 1996/1/26

Y1 - 1996/1/26

N2 - A new mechanism for exchange-transfer specific to hole-type mixed-valence clusters is proposed. The intermediate state in the second-order exchange-transfer process is achieved by the jump of the electron from the spin-core of the dn+1 ion into the empty orbital of the dn ion. As distinguished from the mixed-valence clusters with one delocalized electron this intermediate state is the high-spin one giving rise to a ferromagnetic contribution to the ground manifold. On the basis of angular momentum theory a general solution of the exchange-transfer problem is given for arbitrary nuclearity mixed-valence hole-type clusters with many-electron paramagnetic spin-cores. The interplay between the double exchange, exchange-transfer and Heisenberg exchange is considered in detail for the simple case of a d2-d2-d1 trimer.

AB - A new mechanism for exchange-transfer specific to hole-type mixed-valence clusters is proposed. The intermediate state in the second-order exchange-transfer process is achieved by the jump of the electron from the spin-core of the dn+1 ion into the empty orbital of the dn ion. As distinguished from the mixed-valence clusters with one delocalized electron this intermediate state is the high-spin one giving rise to a ferromagnetic contribution to the ground manifold. On the basis of angular momentum theory a general solution of the exchange-transfer problem is given for arbitrary nuclearity mixed-valence hole-type clusters with many-electron paramagnetic spin-cores. The interplay between the double exchange, exchange-transfer and Heisenberg exchange is considered in detail for the simple case of a d2-d2-d1 trimer.

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DO - 10.1016/0009-2614(95)01344-X

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SP - 7

EP - 14

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-2

ER -

Exchange-transfer in mixed-valence clusters with one migrating hole

Abstract

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