Exchange-Perturbation Treatment of Magnetic Ordering in Nonconducting Solids

Ritter, R.; Jansen, L.; Lombardi, E.

doi:10.1103/physrevb.8.2139

Cited by 44 publications

(8 citation statements)

References 19 publications

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“…Excellent agreement with experiment (exchange coupling constants and types of magnetic ordering) was obtained in all cases. 26 and cyclic configurations. 35 In these applications, H takes the place of the paramagnetic cation.…”

Section: Introductionmentioning

confidence: 99%

Theoretical analysis of equilibrium geometries and barriers of rotation in molecules H2X2, with X=O, S, Se, and Te

Block

Jansen

1985

The Journal of Chemical Physics

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Section: Introductionmentioning

confidence: 99%

Theoretical analysis of equilibrium geometries and barriers of rotation in molecules H2X2, with X=O, S, Se, and Te

Block

Jansen

1985

The Journal of Chemical Physics

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“…Also, we note again that the analysis was based on spherically symmetric zeroth-order wave functions and not on orbitals adapted to the molecular symmetry. I t therefore appears that permutation symmetry is the primary cause for the existence of such molecules, establishing a close link with phenomena of magnetic ordering in nonconducting solids [4]. …”

Section: Numerical Results and Discussionmentioning

confidence: 98%

“…Since we use a spinless Hamiltonian, the construction of these eigenfunctions may be restricted to the ones for Sz = S, for example. Several methods are available for the explicit construction of these functions (see, for example, [4] and references contained therein For molecular configurations of high symmetry, the numbers of permutations occurring in these operators are greatly reduced. As an example, the maximum number of nonequivalent permutations for the tetrahedral and square-planar configurations of the molecule RX, are 52 and 110, respectively (instead of 6 !…”

Section: Formalismmentioning

confidence: 99%

Validity of the three‐center, four‐electron model for stability of rare gas halides on the basis of exchange perturbation theory

Lombardi

Pirola

Tarantini

et al. 1974

Int J of Quantum Chemistry

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AbstractsIn a previous publication [l] we analyzed the stability of rare gas halides on the basis of exchange perturbation theory of the Rayleigh-Schrodinger type, using a three-center, four-electron model. In this paper, the analysis is extended to a (n + 1)-center, (n + 2)-electron model for rare gas halides of composition RX, , where R is the rare gas atom and X the halogen atom, in order to investigate the validity of the three-center, fourelectron model. The compounds analyzed are XeF, , XeCl, , KrF, and KrCl, with n = 3 and 4, in different geometric configurations and for different states of total spin S.As before, we use exchange perturbation theory in first and second orders. The results are in good agreement with those obtained in the previous analysis and with experiments. Specifically, it is found that chlorides of rare gas atoms are not stable, that XeF4 has the square-planar configuration and that trifluorides cannot exist. The possible existence of KrF, is discussed.Dam une publication rtcente [l], nous avons analyst la stabilitt des halogtnures des gaz rares sur la base d'une thtorie de perturbation du type de Rayleigh-Schrodinger gknkraliste pour les forces d'tchange, en utilisant un modtle A quatre tlectrons sur trois centres. Dans cet article, l'analyse est gtntraliste A un systtme de (n + 2)-tlectrons sur (n + 1)-centres, ceci pour ttudier les halogtnures des gaz rares de composition RX, , oh R est l'atome des gaz rares et X l'halogtne, et pour ttablir la validitt du modkle de quatre tlectrons sur trois centres. Les composts analysts sont XeF, , XeCl, , KrF, et KrCl, , avec n = 3 et n = 4, pour difftrentes configurations gtomttriques et pour difftrents ttats de spin total S. Comme auparavant, nous utilisons la thtorie de perturbation du type d'tchange en premier et deuxitme ordres. Les rksultats sont en bon accord avec ceux obtenus dans l'analyse prtctdente et avec l'exptrience. En particulier, on trouve que les chlorures des gaz rares ne sont pas stables, que XeFp a la configuration de forme plan-carrke et que les tri-fluorures ne peuvent pas exister. L'existence possible de KrF4 est discutte.I n einer kiirzlich erschienenen Arbeit [l] wurde das Problem der Stabilitat der Edelgashalogenide auf der Basis eines "drei-Zentren, vier-E1ektronen"-Modells unter Verwendung von Austausch-S torungsrechnung vom Typ Rayleigh-Schr8dinger analysiert. 335

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“…Papers by . Kasuya [ 11 and Ritttr et al [ 2 ] where these parameters are being calculated for the coinpourids EuO, EuS, EuSe, and EuTe are of most interest. In [I.]…”

Section: Introductionmentioning

confidence: 99%

The Calculation of the Superexchange Interaction Parameters in EuO

Falkovskaya

Sapozhnikov

1975

Physica Status Solidi (b)

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I n honour of Prof. Dr. Dr. h. e. P. GORI~ICH'S 70th birthday The superexchange int.eraction parameter for the next-nearest neighbouring pair of magnetic ions in EuO, connected by the 180" exchange interaction has been calculated according to the method of configuration interaction. The effect of the non-homogeneous potential created by the crystal ions in the region of the chosen complex c'metal--ligandmetal" is t.aken into account. Satisfactory agreement with experimental data is obtained. MeToaoM Fioi@m-ypauMoHHoro ~a a i i~o a c i k c~~~n paccmTa1i IiapaMeTp csepxo6-MeHHoro R~~M M O J~~~C T B M H ~J I J I rrapr,r R T O~H X 6n~waiiimwx cocexelh B EuO, csmaIIm m m e IieojiIIopoilHoro noTeHIwana, co3zaBaeMoro MoIiami IcpmxaJraa R MXTC HIdX 18O-rpa;4YCHbIH O6MeHHIJM I33aMMOLIC'hCTRMeM. nPM 3TOM J' ZIMTIdRaeTCFI paCIIo~O>IiCHIlJl BhI6paHHOrO IiOMIIJIeKCB ,,MCTaJI;I-~II.IraI?]T--~eTaJI,1". ~O z l y q e I I O y~oRneTBOp~Il.eJlbIIOe COrJIaCIle C 3 K C I I C p~M e I I T a . 7 l~I I b l V l i EaHHbIMM.

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Exchange-Perturbation Treatment of Magnetic Ordering in Nonconducting Solids

Cited by 44 publications

References 19 publications

Theoretical analysis of equilibrium geometries and barriers of rotation in molecules H2X2, with X=O, S, Se, and Te

Theoretical analysis of equilibrium geometries and barriers of rotation in molecules H2X2, with X=O, S, Se, and Te

Validity of the three‐center, four‐electron model for stability of rare gas halides on the basis of exchange perturbation theory

The Calculation of the Superexchange Interaction Parameters in EuO

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