Tetragonal magnetic phase in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Ba</mml:mi><mml:mrow><mml:mn>1</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi mathvariant="normal">K</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>Fe</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>As</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:mrow></mml:math>from x-ray and neutron diffraction

Allred, Jared M.; Avcı, Sevda; Chung, Duck Young; Claus, H.; Khalyavin, D. D.; Manuel, Pascal; Taddei, Keith M.; Kanatzidis, Mercouri G.; Rosenkranz, S.; Osborn, R.; Chmaissem, O.

doi:10.1103/physrevb.92.094515

Cited by 64 publications

(92 citation statements)

References 17 publications

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“…31 we reported a similar behavior in the Ba 1−x K x Fe 2 As 2 compound and attributed the extra influence as due to possible localized defects in parts of the sample. Since then, theory has shown that impurity scattering can play a significant role in the stabilization of the C 4 phase.…”

Section: W E I G H T E D P H a S E F R A C T I O Nsupporting

confidence: 55%

“…A similar combined magnetic, structural and superconducting transition for Ba 0.74 K 0.26 Fe 2 As 2 has been reported and this behavior indicates the strong competition between superconduc-tivity and the magnetic C 4 phase. 14,31 While, such a C 2 re-entrance has been reported in Ba 1−x K x Fe 2 As 2 (Reference 31) and its significance discussed (Reference 14), it has not been seen in any other 122 system as far as the authors of this paper are aware. It is not obvious why Ca 1−x Na…”

Section: W E I G H T E D P H a S E F R A C T I O Nmentioning

confidence: 66%

“…12,20,30,31 In these reports we characterized the C 4 phase by an abrupt first order re-entrance at temperatures T < T N to the tetragonal I4/mmm structure from within the well known antiferromagnetically ordered orthorhombic F mmm structure. This structural transition is coupled to a magnetic transition where the previously in-plane Fe-site moments rotate to be co-linear to the c-axis forming a double-Q magnetic structure with P C 4 2 /ncm magnetic space group.…”

Section: Resultsmentioning

confidence: 99%

“…This structural transition is coupled to a magnetic transition where the previously in-plane Fe-site moments rotate to be co-linear to the c-axis forming a double-Q magnetic structure with P C 4 2 /ncm magnetic space group. [31][32][33] Fig . 2(a) shows diffractograms of the 112 nuclear peak and the 1 2 1 2 1 and 1 2 1 2 3 magnetic peaks for Ca 0.58 Na 0.42 Fe 2 As 2 (all peaks indexed using the tetragonal symmetry of the room temperature structure).…”

Section: Resultsmentioning

confidence: 99%

“…While not observed in Ba 1−x Na x Fe 2 As 2 we recently reported a similar behavior in Sr 1−x Na x Fe 2 As 2 and Ba 1−x K x Fe 2 As 2 . 12,14,20, 31 The significance of this re-entrance in composition space will be discussed in Section III C. …”

Section: Resultsmentioning

confidence: 99%

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Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

et al. 2017

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Since its discovery in 2014 the magnetic tetragonal C4 phase has been identified in a growing number of hole-doped '122' Fe-based superconducting compounds. Exhibiting a unique double-Q magnetic structure and a strong competition with both superconducting and magnetic order parameters, the C4 phase and the conditions of its formation are of significant interest to understanding the fundamental mechanisms in these materials. Particularly, separating the importance of direct changes to the relative size of hole and electron pockets at the Fermi surface (achieved via charge doping) from the role of structural changes due to differences of ionic radii of dopants is useful to determine the underlying parameter which causes the C4 instability. Here, we report the discovery of the C4 phase in a fourth member of the hole-doped '122' materials Ca1−xNaxFe2As2 (0.20 ≤ x ≤ 0.50) as determined from neutron and X-ray powder diffraction studies. The maximum of the C4 dome is observed at x = 0.44 with a re-entrant temperature Tr= 52K and an extent of ∆x ∼ 0.07 in composition. It is observed that for a range of compositions within the C4 dome (0.40 ≤ x ≤ 0.42) there is a second re-entrance (Tr 2 < Tr) where the AFM-C2 phase is recovered -a feature previously only seen in Ba1−xKxFe2As2. A phase diagram is presented for Ca1−xNaxFe2As2 and compared to the other Na + -doped '122's' -A1−xNaxFe2As2 with A = Ba, Sr and Ca. The structural parameters for these three systems are compared and the importance of the 'chemical pressure' due to changing the A-site ion (A = Ba, Sr, Ca) is discussed.

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Section: W E I G H T E D P H a S E F R A C T I O Nsupporting

confidence: 55%

Section: W E I G H T E D P H a S E F R A C T I O Nmentioning

confidence: 66%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

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Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

et al. 2017

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Spin reorientation transition in Na‐doped BaFe₂As₂ studied by single‐crystal neutron diffraction

Waßer

Wurmehl

Aswartham

et al. 2016

Physica Status Solidi (b)

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Several hole‐doped BaFe2As2 compounds were recently shown to exhibit a second magnetic phase transition in the concentration range close to the full suppression of antiferromagnetic (AFM) order. At this additional transition ordered magnetic moments reorient from in‐plane to out‐of‐plane alignment associated with a suppression of the orthorhombic distortion. We have studied the magnetic properties of such a representative hole‐doped system, Ba1–xNaxFe2As2 with 0.25 ≤ x ≤ 0.40, by neutron diffraction on large single crystals. With increasing Na substitution (0.25 ≤ x ≤ 0.39) the AFM transition temperature sharply decreases, while the spin‐reorientation transition temperature is rather constant, until both magnetic phases are completely suppressed at x = 0.40. For all studied Na concentrations the additional transition is related to the spin reorientation, which, however, is complete only in the middle of the concentration range of the out‐of‐plane phase. In the superconducting state, the intensities of magnetic Bragg reflections become heavily suppressed; this effect seems to increase for larger Tc and reaches ∼50% in Ba0.61Na0.39Fe2As2. In samples with coexisting in‐plane and out‐of‐plane ordering, this superconductivity induced suppression of ordered moments is significantly stronger for the out‐of‐plane components indicating that this phase more strongly competes with superconductivity.

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Electronic Properties and Fermi Surface for New Layered High-Temperature Superconductors CaAFe4As4 (A = K, Rb, and Cs): FLAPW-GGA Calculations

Suetin

Shein

2017

J Supercond Nov Magn

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Recently, new FeAs based high-temperature superconductors CaAFe 4 As 4 (A=K, Rb, Cs) with a layered tetragonal crystal structure were synthesized (T C ~ 30 K). In this Letter, we report for the first time the band structures, Fermi surface topology, total and partial densities of electronic states and interatomic interactions for CaAFe 4 As 4 as estimated by means of the first-principles FLAPW-GGA calculations. The interatomic bonding picture can be represented as a highly anisotropic mixture of metallic, covalent, and ionic contributions, which are realized inside Fe 4 As 4 layered blocks and between these blocks and Ca, A atomic sheets. The Fermi surfaces of these systems have a multisheet character and are compiled of a large number of cylinders at the edges and in the central part of the Brillouin zone. It is established that the high-temperature superconductivity in CaAFe 4 As 4 compounds as in other related systems correlates well with such structure parameters as bond angles and anion height.

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Tetragonal magnetic phase inBa1−xKxFe2As2from x-ray and neutron diffraction

Cited by 64 publications

References 17 publications

Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

Spin reorientation transition in Na‐doped BaFe₂As₂ studied by single‐crystal neutron diffraction

Electronic Properties and Fermi Surface for New Layered High-Temperature Superconductors CaAFe4As4 (A = K, Rb, and Cs): FLAPW-GGA Calculations

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Tetragonal magnetic phase inBa1−xKxFe2As2from x-ray and neutron diffraction

Cited by 64 publications

References 17 publications

Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

Observation of the magnetic C4 phase in Ca1−xNaxFe2As2

Spin reorientation transition in Na‐doped BaFe2As2 studied by single‐crystal neutron diffraction

Electronic Properties and Fermi Surface for New Layered High-Temperature Superconductors CaAFe4As4 (A = K, Rb, and Cs): FLAPW-GGA Calculations

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Spin reorientation transition in Na‐doped BaFe₂As₂ studied by single‐crystal neutron diffraction