On the Weak Ferromagnetism of Orthorhombic CuFe<sub>2</sub>S<sub>3</sub>

Townsend, M. G.; Horwood, J. L.; Gosselin, J. R.

doi:10.1139/p73-281

Cited by 16 publications

(7 citation statements)

References 0 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This result agrees with analisys of magnetic data performed in Ref. [ 17]. It also has to be mentioned a conventional superexchange mechanism between localized electrons tends to stabilize AFM order and is indeed operative for inter-dimer exchange interaction, while intradimer ferromagnetism is due to the formation of molecular orbitals, i.e.…”

Section: Calculation Resultssupporting

confidence: 92%

See 1 more Smart Citation

Orbital-selective behavior in cubanite CuFe2S3

et al. 2022

View full text Add to dashboard Cite

Using ab initio band structure calculations we show that mineral cubanite, CuFe2S3, demonstrates an orbital-selective behavior with some of the electrons occupying molecular orbitals of x 2 − y 2 symmetry and others localized at atomic orbitals. This is a rare situation for 3d transition metal compounds explains experimentally observed absence of charge disproportionation, anomalous Mössbauer data, and ferromagnetic ordering in between nearest neighbor Fe ions.

show abstract

Section: Calculation Resultssupporting

confidence: 92%

“…[ 15]), but ferromagnetically. The Fe-Fe dimers are coupled to each other antiferromagnetically 16,17 . The local magnetic moment was found to be ∼3.2µ B , i.e.…”

Section: Introductionmentioning

confidence: 99%

Orbital-selective behavior in cubanite CuFe2S3

et al. 2022

View full text Add to dashboard Cite

show abstract

“…The magnetic structure in which there are plus and minus pairs of spins along the a axis (see figure 6) (35), confirms the model, suggested. in reference (36). This model was also compatible with representation theory and with the existence of a weak ferromagnetic component along b (37) which extrapolates to 0.04 TJB at low temperatures.…”

Section: Fe=ssupporting

confidence: 80%

“…For instance, the basis vectors belonging to r3u are completely determined.by making all other basis vectors (of with j # 3) equal to zero. In this particular case one has in r3 : v2 = -v1, w2 =w1 for Mn ;u = -u, w w for P(As) (36) 2.3.3. Small displacements inferred from the similarity operators.…”

Section: Displacement Modes By Representation Analysismentioning

confidence: 97%

On sulfides and pnictides

Bertaut¹

1980

Pure and Applied Chemistry

View full text Add to dashboard Cite

Abstract. -The three known varieties of FeS are described and some peculiar features of iron sulfide chnistry are discussed. One introduces the new tool of "similarity operators" for the study of the displacive transitions of FeS (Ta transition) and of MnAs (MnP NiAs type). In pnictides the transitions magnetic -'-non magnetic (MnP type) are first order in conformity with observed changes of volumes and of transition temperatures versus pressure and/or concentration.

show abstract

“…Cubanite is of particular interest because it exhibits weak ferromagnetism (PEACOCK and YATSEVITCH, 1936), which has recently been attributed to the canting of spins in the structure (FLEET, 1970;TOWNSEND et al, 1973). Cubanite is of particular interest because it exhibits weak ferromagnetism (PEACOCK and YATSEVITCH, 1936), which has recently been attributed to the canting of spins in the structure (FLEET, 1970;TOWNSEND et al, 1973).…”

Section: Introductionmentioning

confidence: 99%

A refinement of the structure of cubanite, CuFe₂S₃

Szymański¹

1974

Zeitschrift Für Kristallographie - Crystalline Materials

View full text Add to dashboard Cite

AuszugDie Kristallstruktur von Cubanit CuFe2S3 wurde auf Grund der Intensitäten von 1790 beobachteten Interferenzen bis zu R = 0,045 (und bis zu Ii = 0,096 für alle 3301 möglichen Interferenzen) verfeinert. Die Verfeinerung führte zu Atomabstands-und Bindungswinkel-Werten, die viel genauer als die bisher mitgeteilten sind. Die Deformation der Tetraeder um die Metallatome läßt sich durch Abstoßungskräfte zwischen den Eisenatomen in den Mittelpunkten zweier Tetraeder mit gemeinsamer Kante erklären. Diese Kante ist 2,804(1) Ä lang. Die Metall-Schwefel-Abstände sind: Cu-S = 2,276(1) bis 2,326(1) A, Fe-S = 2,258(1) bis 2,304(1) Ä. Die Mehrdeutigkeit der Bestimmung der Raumgruppe, Pcmn oder Pc2in, wurde untersucht und die frühere Wahl der zentrosymmetrischen Raumgruppe Pcmn als richtig bestätigt. AbstractThe crystal structure of cubanite, CuFe2S3, has been refined to an R value of 0.096 (all 3301 data) and 0.045 (1790 "observed" data only), from multiple sets of four-circle diffractometer x-ray intensity data, collected from a spherical crystal. The anisotropic full-matrix least-squares refinement has yielded a set of bond lengths and angles which are much more precise than those of previous workers. The distortions from tetrahedral symmetry about the metal atoms are consistent with a repulsive force between Fe atoms, 2.804(1) Ä apart, in adjacent edge-sharing Fe-S coordination tetrahedra. The Cu-S lengths range from 2.276(1) to 2.326(1) Ä, and the Fe-S bonds from 2.258(1) to 2.304(1) Ä. The ambiguity in the choice of space group between Pcmn and Pc2in has been investigated, and the earlier choice of the centric space group Pcmn is favoured as being correct.

show abstract

On the Weak Ferromagnetism of Orthorhombic CuFe₂S₃

Abstract: Orthorhombic CuFe2S3 is weakly ferromagnetic. The magnetic susceptibilities of single-crystal and polycrystalline specimens have been determined at temperatures between 78 and 500 °K. A model is presented to explain the weak ferromagnetism.

Cited by 16 publications

References 0 publications

Orbital-selective behavior in cubanite CuFe2S3

Orbital-selective behavior in cubanite CuFe2S3

On sulfides and pnictides

A refinement of the structure of cubanite, CuFe₂S₃

Contact Info

Product

Resources

About

On the Weak Ferromagnetism of Orthorhombic CuFe2S3

Abstract: Orthorhombic CuFe2S3 is weakly ferromagnetic. The magnetic susceptibilities of single-crystal and polycrystalline specimens have been determined at temperatures between 78 and 500 °K. A model is presented to explain the weak ferromagnetism.

Cited by 16 publications

References 0 publications

Orbital-selective behavior in cubanite CuFe2S3

Orbital-selective behavior in cubanite CuFe2S3

On sulfides and pnictides

A refinement of the structure of cubanite, CuFe2S3

Contact Info

Product

Resources

About

On the Weak Ferromagnetism of Orthorhombic CuFe₂S₃

A refinement of the structure of cubanite, CuFe₂S₃