Mixed valent ternary iron chalcogenides: AFe2X3 (A = Rb, Cs; X = Se, Te)

Klepp, К. О.; Sparlinek, W.; Boller, H.

doi:10.1016/0925-8388(95)02087-x

Cited by 37 publications

(38 citation statements)

References 15 publications

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“…Recently, iron-based ladder compounds AFe 2 X 3 (A = K, Rb, Cs or Ba, and X = chalcogen) [17][18][19] have been under intensive investigation [20][21][22][23][24][25][26][27][28][29] . The AFe 2 X 3 compounds consist of FeX 4 tetrahedra, which are similar to the 2D iron-based SCs, but Fe atoms form two-leg ladder lattice giving rise to the quasi-one dimensionality.…”

Section: Introductionmentioning

confidence: 99%

Temperature and composition phase diagram in the iron-based ladder compoundsBa1−xCsxFe2Se3

et al. 2015

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We investigated the iron-based ladder compounds (Ba,Cs)Fe2Se3. Their parent compounds, BaFe2Se3 and CsFe2Se3, have different space groups, formal valences of Fe and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, X-ray diffraction and powder neutron diffraction measurements were conducted to obtain temperature and composition phase diagram of this system. Block magnetism observed in BaFe2Se3 is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe2Se3 is not so fragile against Ba doping. New type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe2Se3, but inter-ladder spin configuration is different. Intermediate compounds show insulating behavior, nevertheless finite T -linear contribution in specific heat was obtained at low temperatures.

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Section: Introductionmentioning

confidence: 99%

Temperature and composition phase diagram in the iron-based ladder compoundsBa1−xCsxFe2Se3

et al. 2015

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“…AFe 2 X 3 (A=K, Rb, Cs, or Ba and X = S, Se, Te), have been discovered. [5][6][7] In particular, the block magnetism of BaFe 2 Se 3 has attracted increasing attention as the novel magnetic structure among iron-based materials and has been intensively studied both theoretically [8][9][10][11][12][13] and experimentally. 5,[14][15][16][17][18][19][20][21][22] On the other hand, the physical properties of BaFe 2 S 3 are reported only recently in association with the discovery of the high-T c superconducting transition.…”

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confidence: 99%

First-principles study of magnetic properties in Fe-ladder compoundBaFe2S3

2015

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We study the magnetic, structural, and electronic properties of the recently discovered ironbased superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the magnetic alignment in which the spins are coupled ferromagnetically along the rung and antiferromagnetically along the leg is the most stable in the possible magnetic structure within an Fe-ladder and is further stabilized with the periodicity characterized by the wave vector Q=(π,π,0), leading to the experimentally observed magnetic ground state. The magnetic exchange interaction between the Fe-ladders creates a tiny energy gap, whose size is in excellent agreement with the experiments. Applied pressure suppresses the energy gap and leads to an insulator-metal transition. Finally, we also discuss what type of orbitals can play crucial roles on the magnetic and insulator-metal transition.

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“…Orbital-selection is critical to understanding the nature of these magnetic and structural states in iron-based superconductors, independent of the choice of theory. [14][15][16] The spin-ladder compounds AFe 2 X 3 (A = K, Rb, Cs, or Ba and X = Chalcogenide) are structurally related to the iron superconductors, [17][18][19] and are built of double-chains ('ladders') of edgesharing [FeX 4 ] tetrahedra. The A cations separate the ladders to form the three-dimensional structure [ Fig.…”

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Orbital-selective magnetism in the spin-ladder iron selenides Ba1−xKxFe2<

et al. 2012

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Here we show that the 2.80(8) µ B Fe -1 block antiferromagnetic order of BaFe 2 Se 3 transforms into stripe antiferromagnetic order in KFe 2 Se 3 with a decrease in moment to 2.1(1) µ B Fe -1 . This reduction is larger than expected from the change in electron count from Ba 2+ to K + , and occurs with the loss of the displacements of Fe atoms from ideal positions in the ladders, as found by neutron pair distribution function analysis. Intermediate compositions remain insulating, and magnetic susceptibility measurements show a suppression of magnetic order and probable formation of a spin-glass. Together, these results imply an orbital-dependent selection of magnetic versus bonded behavior, driven by relative bandwidths and fillings.

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Mixed valent ternary iron chalcogenides: AFe2X3 (A = Rb, Cs; X = Se, Te)

Cited by 37 publications

References 15 publications

Temperature and composition phase diagram in the iron-based ladder compoundsBa1−xCsxFe2Se3

Temperature and composition phase diagram in the iron-based ladder compoundsBa1−xCsxFe2Se3

First-principles study of magnetic properties in Fe-ladder compoundBaFe2S3

Orbital-selective magnetism in the spin-ladder iron selenides Ba1−xKxFe2<

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