First-Principles Calculations of the Electronic Structure of Tetragonal<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-FeTe and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>-FeSe Crystals: Evidence for a Bicollinear Antiferromagnetic Order

Ma, Fengjie; Ji, Wei; Hu, Jiangping; Lu, Zhong-Yi; Xiang, Tao

doi:10.1103/physrevlett.102.177003

Cited by 319 publications

(339 citation statements)

References 19 publications

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“…This series of transitions occurs in the same regime where the initial magnetic order at high temperature is an incommensurate spin density wave, that transforms abruptly to a nearlycommensurate version of the bicollinear structure. 25,26 The bicollinear magnetic structure can be obtained from DFT calculations 35,42,43 ; however, interpretation of the components determining the magnetic structure are usually done in terms of simpler model Hamiltonians. 36,37,44 It is clear that because of competing interactions, the bicollinear and collinear antiferromagnetic states 4 are close in energy.…”

Section: A Tuning Of the Magnetic Ordermentioning

confidence: 99%

“…11,31,34 Later first-principles calculations have identified the role of local moments and the importance of Hund's exchange coupling, and have provided a more convincing description of the experimental observations. [35][36][37][38] A recent study on Fe 1.1 Te has shown that the localized electrons that contribute to magnetism are not isolated from the itinerant ones, but instead are entangled, as indicated by a temperature-induced enhancement of the instantaneous magnetic moment. 20 In this paper, we use Cu to replace Fe in Fe 1.1 Te, aiming to study the impact of the weakly magnetic Cu dopants on the magnetic order, which we characterize with neutron scattering.…”

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confidence: 99%

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Magnetic order tuned by Cu substitution in Fe1.1−zCuzTe

Wen

et al. 2012

Phys. Rev. B

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We study the effects of Cu substitution in Fe1.1Te, the non-superconducting parent compound of the iron-based superconductor, Fe1+yTe1−xSex, utilizing neutron scattering techniques. It is found that the structural and magnetic transitions, which occur at ∼ 60 K without Cu, are monotonically depressed with increasing Cu content. By 10% Cu for Fe, the structural transition is hardly detectable, and the system becomes a spin glass below 22 K, with a slightly incommensurate ordering wave vector of (0.5-δ, 0, 0.5) with δ being the incommensurability of 0.02, and correlation length of 12Å along the a axis and 9Å along the c axis. With 4% Cu, both transition temperatures are at 41 K, though short-range incommensurate order at (0.42, 0, 0.5) is present at 60 K. With further cooling, the incommensurability decreases linearly with temperature down to 37 K, below which there is a first order transition to a long-range almost-commensurate antiferromagnetic structure. A spin anisotropy gap of 4.5 meV is also observed in this compound. Our results show that the weakly magnetic Cu has large effects on the magnetic correlations; it is suggested that this is caused by the frustration of the exchange interactions between the coupled Fe spins.

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Section: A Tuning Of the Magnetic Ordermentioning

confidence: 99%

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confidence: 99%

Magnetic order tuned by Cu substitution in Fe1.1−zCuzTe

Wen

et al. 2012

Phys. Rev. B

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“…The fact that the unconventional superconductivity in iron pnictides and chalcogenides is interplayed with magnetism motivated extensive research on the origin of antiferromagnetism of iron pnictide and chalcogenide superconductor parent compounds [1][2][3][4][5][6][7][8][9][10] . Iron pnictides parent compounds, such as LaOFeAs and BaFe 2 As 2 , exhibit "single-stripe" antiferromagnetic (AFM) order with the in-plane component of AFM wave vector along the Fermi surface (FS) nesting direction (i.e.…”

Section: Introductionmentioning

confidence: 99%

Weak ferromagnetism ofCuxFe1+yAsand its evolution with Co doping

Qian

Han

et al. 2015

Phys. Rev. B

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We have investigated electronic and magnetic properties of iron pnictide Cu x Fe 1+y As, which is isostructural to iron pnictide superconductors LiFeAs and NaFeAs, using polycrystalline and single crystal samples. We found that Cu x Fe 1+y As is characterized by strong electron correlations and shows weak ferromagnetic behavior with the Curie temperature T c ~ 42 K, in contrast with the superconductivity in LiFeAs and NaFeAs. Its electronic transport properties exhibit quasi-two-dimensional characteristics: while the in-plane resistivity follows quadratic temperature dependence for T < 10K, the c-axis resistivity shows nonmetal-to-metal crossover near 20 K. In addition, we have studied Co doping effect on Cu x Fe 1+y As and found that Co doping enhances the ferromagnetism with T c increasing up to 83 K for Cu x Fe 0.5 Co 0.5 As. From these results, we discussed the origin of the ferromagnetism of Cu x Fe 1+y As and its relevance with the magnetism of iron pnictide superconductor parent compounds 2

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“…Nevertheless, this mechanism cannot be used to interpret the antiferromagnetism in Fe 1+y Te since its in-plane component of the AFM wavevector is (π,0), rather than the FS nesting vector (π,π). In addition to the picture of FS-driven magnetism, various models based on local moment superexchange interactions have been proposed [24][25][26][27][28][29] and a scenario of local moments coupled to a low number of itinerant electrons is also considered 24,27,[30][31] 18 . This result is in a good agreement with the theoretical result stated above.…”

Section: Introductionmentioning

confidence: 99%