Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3

H. J. Koo; M. H. Whangbo

doi:10.1006/jssc.2000.8627

Analysis of the spin exchange interactions in the extended magnetic solids K₂NiF₄, K₂CuF₄, La₂CuO₄, Nd₂CuO₄, KNiF₃, and KCuF₃

H. J. Koo
, M. H. Whangbo

Research output: Contribution to journal › Article › peer-review

30 Citations (Scopus)

Abstract

The spin exchange parameters J of the extended magnetic solids K₂NiF₄, K₂CuF₄, La₂CuO₄, Nd₂CuO₄, KNiF₃, and KCuF₃ were analyzed by examining the structures of their spin monomers and calculating the energy differences Δe in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the Δe values obtained from extended Huekel molecular orbital calculations. The Δe value of a spin dimer is related only to the antiferromagnetic component of its J, but the spin dimer analysis based on Δe allows one to correlate the nature of the magnetic interaction with the structure of the spin dimer. (C) 2000 Academic Press.

Original language	English
Pages (from-to)	96-101
Number of pages	6
Journal	Journal of Solid State Chemistry
Volume	151
Issue number	1
DOIs	https://doi.org/10.1006/jssc.2000.8627
Publication status	Published - 2000

Bibliographical note

Funding Information:
This work was supported by the O$ce of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy, under Grant DE-FG05-86ER45259.

Copyright:
Copyright 2017 Elsevier B.V., All rights reserved.

Keywords

Extended Huckel molecular orbital calculations
Magnetically ordered materials
Spin exchange interactions

Access to Document

10.1006/jssc.2000.8627

Cite this

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title = "Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3",

abstract = "The spin exchange parameters J of the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3 were analyzed by examining the structures of their spin monomers and calculating the energy differences Δe in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the Δe values obtained from extended Huekel molecular orbital calculations. The Δe value of a spin dimer is related only to the antiferromagnetic component of its J, but the spin dimer analysis based on Δe allows one to correlate the nature of the magnetic interaction with the structure of the spin dimer. (C) 2000 Academic Press.",

keywords = "Extended Huckel molecular orbital calculations, Magnetically ordered materials, Spin exchange interactions",

author = "Koo, \{H. J.\} and Whangbo, \{M. H.\}",

note = "Funding Information: This work was supported by the O\$ce of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy, under Grant DE-FG05-86ER45259. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.",

year = "2000",

doi = "10.1006/jssc.2000.8627",

language = "English",

volume = "151",

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journal = "Journal of Solid State Chemistry",

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T1 - Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3

AU - Koo, H. J.

AU - Whangbo, M. H.

N1 - Funding Information: This work was supported by the O$ce of Basic Energy Sciences, Division of Materials Sciences, U.S. Department of Energy, under Grant DE-FG05-86ER45259. Copyright: Copyright 2017 Elsevier B.V., All rights reserved.

PY - 2000

Y1 - 2000

N2 - The spin exchange parameters J of the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3 were analyzed by examining the structures of their spin monomers and calculating the energy differences Δe in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the Δe values obtained from extended Huekel molecular orbital calculations. The Δe value of a spin dimer is related only to the antiferromagnetic component of its J, but the spin dimer analysis based on Δe allows one to correlate the nature of the magnetic interaction with the structure of the spin dimer. (C) 2000 Academic Press.

AB - The spin exchange parameters J of the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3 were analyzed by examining the structures of their spin monomers and calculating the energy differences Δe in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the Δe values obtained from extended Huekel molecular orbital calculations. The Δe value of a spin dimer is related only to the antiferromagnetic component of its J, but the spin dimer analysis based on Δe allows one to correlate the nature of the magnetic interaction with the structure of the spin dimer. (C) 2000 Academic Press.

KW - Extended Huckel molecular orbital calculations

KW - Magnetically ordered materials

KW - Spin exchange interactions

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DO - 10.1006/jssc.2000.8627

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