Anisotropic double exchange in orbitally degenerate mixed valence systems

J. J. Borras-Almenar; J. M. Clemente-Juan; E. Coronado; A. V. Palii; B. S. Tsukerblat

doi:10.1016/S0301-0104(00)00029-X

Anisotropic double exchange in orbitally degenerate mixed valence systems

J. J. Borras-Almenar, J. M. Clemente-Juan, E. Coronado, A. V. Palii, B. S. Tsukerblat

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Abstract

The problem of the double exchange is considered for the mixed valence dimers in which one or both transition metal ions possess orbitally degenerate ground states. In the pseudo-angular momentum representation, the general formula is deduced for the matrix elements of double exchange involving the transfer integrals and all spin and orbital quantum numbers. The pairs ³T₁ (t₂/²)-²T₂ (t₂/¹) and ³T₁ (t₂/²)-⁴A₂ (t₂/³) are considered in three high-symmetric topologies: edge-shared D(2h), corner-shared D(4h), and face-shared D(3h) bioctahedra. The double exchange in orbitally degenerate systems is shown to produce strong magnetic anisotropy of an orbital nature. The character of the anisotropy proved to be dependent on the overall symmetry of the system and on the ground terms of the metal ions. (C) 2000 Elsevier Science B.V.

Original language	English
Pages (from-to)	275-285
Number of pages	11
Journal	Chemical Physics
Volume	254
Issue number	2-3
DOIs	https://doi.org/10.1016/S0301-0104(00)00029-X
State	Published - 1 Apr 2000
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1016/S0301-0104(00)00029-X

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title = "Anisotropic double exchange in orbitally degenerate mixed valence systems",

abstract = "The problem of the double exchange is considered for the mixed valence dimers in which one or both transition metal ions possess orbitally degenerate ground states. In the pseudo-angular momentum representation, the general formula is deduced for the matrix elements of double exchange involving the transfer integrals and all spin and orbital quantum numbers. The pairs 3T1 (t2/2)-2T2 (t2/1) and 3T1 (t2/2)-4A2 (t2/3) are considered in three high-symmetric topologies: edge-shared D(2h), corner-shared D(4h), and face-shared D(3h) bioctahedra. The double exchange in orbitally degenerate systems is shown to produce strong magnetic anisotropy of an orbital nature. The character of the anisotropy proved to be dependent on the overall symmetry of the system and on the ground terms of the metal ions. (C) 2000 Elsevier Science B.V.",

author = "Borras-Almenar, {J. J.} and Clemente-Juan, {J. M.} and E. Coronado and Palii, {A. V.} and Tsukerblat, {B. S.}",

note = "Funding Information: The financial support of the MEC is acknowledged (grant PB96-0862-C02-02). B.S.T. thanks the University of Valencia for a visiting professor grant.",

year = "2000",

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doi = "10.1016/S0301-0104(00)00029-X",

language = "English",

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T1 - Anisotropic double exchange in orbitally degenerate mixed valence systems

AU - Borras-Almenar, J. J.

AU - Clemente-Juan, J. M.

AU - Coronado, E.

AU - Palii, A. V.

AU - Tsukerblat, B. S.

N1 - Funding Information: The financial support of the MEC is acknowledged (grant PB96-0862-C02-02). B.S.T. thanks the University of Valencia for a visiting professor grant.

PY - 2000/4/1

Y1 - 2000/4/1

N2 - The problem of the double exchange is considered for the mixed valence dimers in which one or both transition metal ions possess orbitally degenerate ground states. In the pseudo-angular momentum representation, the general formula is deduced for the matrix elements of double exchange involving the transfer integrals and all spin and orbital quantum numbers. The pairs 3T1 (t2/2)-2T2 (t2/1) and 3T1 (t2/2)-4A2 (t2/3) are considered in three high-symmetric topologies: edge-shared D(2h), corner-shared D(4h), and face-shared D(3h) bioctahedra. The double exchange in orbitally degenerate systems is shown to produce strong magnetic anisotropy of an orbital nature. The character of the anisotropy proved to be dependent on the overall symmetry of the system and on the ground terms of the metal ions. (C) 2000 Elsevier Science B.V.

AB - The problem of the double exchange is considered for the mixed valence dimers in which one or both transition metal ions possess orbitally degenerate ground states. In the pseudo-angular momentum representation, the general formula is deduced for the matrix elements of double exchange involving the transfer integrals and all spin and orbital quantum numbers. The pairs 3T1 (t2/2)-2T2 (t2/1) and 3T1 (t2/2)-4A2 (t2/3) are considered in three high-symmetric topologies: edge-shared D(2h), corner-shared D(4h), and face-shared D(3h) bioctahedra. The double exchange in orbitally degenerate systems is shown to produce strong magnetic anisotropy of an orbital nature. The character of the anisotropy proved to be dependent on the overall symmetry of the system and on the ground terms of the metal ions. (C) 2000 Elsevier Science B.V.

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SN - 0301-0104

VL - 254

SP - 275

EP - 285

JO - Chemical Physics

JF - Chemical Physics

IS - 2-3

ER -

Anisotropic double exchange in orbitally degenerate mixed valence systems

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