Multiple strongly coupled antiferromagnetic spin S = 1/2 dimers in liroconite

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Marco E. Ciriotti
Messaggi: 31675
Iscritto il: ven 25 giu, 2004 11:31
Località: via San Pietro, 55 I-10073 Devesi/Cirié TO - Italy
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Multiple strongly coupled antiferromagnetic spin S = 1/2 dimers in liroconite

Messaggio da Marco E. Ciriotti » mar 06 set, 2022 10:53

Prossima pubblicazione.

Referenza:
▪ Kremer, R.K., Bette, S., Brücher, E., Nuss, J., Schulz, A., Whangbo, M.-H., Koo, H.-J. (2022): Multiple strongly coupled antiferromagnetic spin S = 1/2 dimers in liroconite Cu2Al(As,P)O4(OH)4·4H2O. Zeitschrift für Kristallographie - Crystalline Materials, 237, (in press).

Abstract:
We report on the magneto-structural properties of the rare copper aluminum hydroxo-arsenate mineral liroconite with chemical composition Cu2AlAs1−x P x O4(OH)4·4H2O (x ≈ 0.2). In order to characterize the natural mineral sample chemical analyses, X-ray single crystal and powder diffraction, heat capacity and crystal water desorption, anisotropic thermal expansion and Raman scattering and magnetic susceptibility investigations have been carried out. The magnetic properties are well described by two discrete oxygen bridged Cu2+ spin S = 1/2 dimers with antiferromagnetic spin exchange ranging between −320 K and −136 K, depending on to which group-15 five-valent cation, As5+ or P5+, the dimer bridging oxygen atoms coordinate to. Accordingly the temperature dependence of the magnetic susceptibilities can be well fitted to a sum of two Bleaney–Bowers type spin S = 1/2 dimer susceptibilities suggesting that the dimers show negligible mixed coordination to (AsO4)3−/(PO4)3− tetrahedra. DFT + U calculation confirm the ratio of the spin exchange parameters of the (AsO4)3− or (PO4)3− coordinated Cu2+ – Cu2+ dimers. Inter dimer spin exchange is about two orders of magnitude smaller than intra dimer exchange.
Marco E. Ciriotti

«Things are interesting only in so far as they relate themselves to other things»

Avatar utente
Marco E. Ciriotti
Messaggi: 31675
Iscritto il: ven 25 giu, 2004 11:31
Località: via San Pietro, 55 I-10073 Devesi/Cirié TO - Italy
Contatta:

Re: Multiple strongly coupled antiferromagnetic spin S = 1/2 dimers in liroconite

Messaggio da Marco E. Ciriotti » gio 03 nov, 2022 8:29

Pubblicazione effettuata.

Referenza:
▪ Kremer, R.K., Bette, S., Brücher, E., Nuss, J., Schulz, A., Whangbo, M.-H., Koo, H.-J. (2022): Multiple strongly coupled antiferromagnetic spin S = 1/2 dimers in liroconite Cu2Al(As,P)O4(OH)4·4H2O. Zeitschrift für Kristallographie - Crystalline Materials, 237, 403-415.
Marco E. Ciriotti

«Things are interesting only in so far as they relate themselves to other things»

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