Magnetic transition-state approach to antiferromagnetic ordering

NiO

V. A. Gubanov*, Donald E Ellis

*Corresponding author for this work

Research output: Contribution to journalArticle

25 Citations (Scopus)

Abstract

Antiferromagnetic ordering in insulating transition-metal compounds is explored in the magnetic transition state scheme proposed by Slater. A model is developed in the framework of a spin-polarized, one-electron, self-consistent, molecular-cluster theory. Using a discrete variational method with the necessary constraints on molecular-orbital occupation numbers and the potential field, we determine the spin-flip energy and hence the Néel temperature TN for NiO which is in excellent agreement with experiment.

Original languageEnglish (US)
Pages (from-to)1633-1636
Number of pages4
JournalPhysical Review Letters
Volume44
Issue number24
DOIs
StatePublished - Jan 1 1980

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molecular clusters
metal compounds
potential fields
occupation
molecular orbitals
transition metals
electrons
temperature
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

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abstract = "Antiferromagnetic ordering in insulating transition-metal compounds is explored in the magnetic transition state scheme proposed by Slater. A model is developed in the framework of a spin-polarized, one-electron, self-consistent, molecular-cluster theory. Using a discrete variational method with the necessary constraints on molecular-orbital occupation numbers and the potential field, we determine the spin-flip energy and hence the N{\'e}el temperature TN for NiO which is in excellent agreement with experiment.",
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Magnetic transition-state approach to antiferromagnetic ordering : NiO. / Gubanov, V. A.; Ellis, Donald E.

In: Physical Review Letters, Vol. 44, No. 24, 01.01.1980, p. 1633-1636.

Research output: Contribution to journalArticle

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AB - Antiferromagnetic ordering in insulating transition-metal compounds is explored in the magnetic transition state scheme proposed by Slater. A model is developed in the framework of a spin-polarized, one-electron, self-consistent, molecular-cluster theory. Using a discrete variational method with the necessary constraints on molecular-orbital occupation numbers and the potential field, we determine the spin-flip energy and hence the Néel temperature TN for NiO which is in excellent agreement with experiment.

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