Local atomic strain in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">ZnSe</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Te</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>from high real-space resolution neutron pair distribution function measurements

Peterson, Peter F.; Proffen, Th.; Jeong, I.-K.; Billinge, Simon J. L.; Choi, Kyoung Shin; Kanatzidis, Mercouri G.; Radaelli, P. G.

doi:10.1103/physrevb.63.165211

Cited by 44 publications

(24 citation statements)

References 31 publications

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“…For an immediate comparison with the random alloys, the nearest-neighbor local Fe–Se and Fe–Te distances in the FeSe 1− x Te x ternary system are plotted as a function of Te concentration in figure 7. The behavior is similar to the so-called Z -plot, characteristic of the nearest-neighbor distances in ternary alloys [57–61]. It is clear that the local Fe–Se and Fe–Te bond lengths are closer to those in the binary end members (FeSe and FeTe) than what one expects from the prediction of Vegard's law [49].…”

Section: Resultssupporting

confidence: 55%

“…Indeed, the situation is similar to random alloys of the type AB 1− x C x in which local structure around the A site is not homogeneous although the end members AB and AC possess perfect crystallographic symmetry [57–61]. Indeed, the bond lengths A–B and A–C are non-equivalent and hence the bond angles are also so.…”

Section: Resultsmentioning

confidence: 96%

“…no bond alteration). In the case of FeSe 1− x Te x , ∊ is ∼0.95, indicating a large average bond relaxation, unlike a large part of pseudobinary semiconductor alloys in which the relaxation parameter ∊ is ∼0.8 [57–61]. This could be due to (i) stronger Fe d–Ch p hybridization and (ii) larger order in the FeSe 1− x Te x chalcogenides compared to the pseudobinary semiconductor alloys [63, 64].…”

Section: Resultsmentioning

confidence: 99%

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Nanoscale structure and atomic disorder in the iron-based chalcogenides

Saini

2013

Science and Technology of Advanced Materials

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The multiband iron-based superconductors have layered structure with a phase diagram characterized by a complex interplay of charge, spin and lattice excitations, with nanoscale atomic structure playing a key role in their fundamental electronic properties. In this paper, we briefly review nanoscale structure and atomic disorder in iron-based chalcogenide superconductors. We focus on the Fe(Se,S)1−xTex (11-type) and K0.8Fe1.6Se2 (122-type) systems, discussing their local structure obtained by extended x-ray absorption fine structure. Local structure studies on the Fe(Se,S)1−xTex system reveal clear nanoscale phase separation characterized by coexisting components of different atomic configurations, similar to the case of random alloys. In fact, the Fe–Se/S and Fe–Te distances in the ternary Fe(Se,S)1−xTex are found to be closer to the respective distances in the binary FeSe/FeS and FeTe systems, showing significant divergence of the local structure from the average one. The observed features are characteristic of ternary random alloys, indicating breaking of the local symmetry in these materials. On the other hand, K0.8Fe1.6Se2 is known for phase separation in an iron-vacancy ordered phase and an in-plane compressed lattice phase. The local structure of these 122-type chalcogenides shows that this system is characterized by a large local disorder. Indeed, the experiments suggest a nanoscale glassy phase in K0.8Fe1.6Se2, with the superconductivity being similar to the granular materials. While the 11-type structure has no spacer layer, the 122-type structure contains intercalated atoms unlike the 1111-type REFeAsO (RE = rare earth) oxypnictides, having well-defined REO spacer layers. It is clear that the interlayer atomic correlations in these iron-based superconducting structures play an important role in structural stability as well as superconductivity and magnetism.

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Section: Resultssupporting

confidence: 55%

Section: Resultsmentioning

confidence: 96%

Section: Resultsmentioning

confidence: 99%

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Nanoscale structure and atomic disorder in the iron-based chalcogenides

Saini

2013

Science and Technology of Advanced Materials

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“…This method is typically used on highly crystalline systems, such as to study chemical ordering [262] and local strain. [263] Many nanoparticle systems can be modelled as a finite object cut out of a bulk atomic structure, by calculating the bulk structure using a small-box model and then applying a shape function averaged over all directions, which has the effect of applying a damping envelope to the data. [126,264,265] However, in cases where there is significant disorder or structural rearrangement of the atoms on the nanoparticle surface, such methods may fail or yield a size that is less than the true Downloaded by [New York University] at 06:05 08 June 2015 nanoparticle size.…”

Section: Pair Distribution Function Analysismentioning

confidence: 99%

X-ray scattering characterisation of nanoparticles

Ingham

2015

Crystallography Reviews

137

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This article provides, in tutorial style, a review of X-ray scattering methods commonly used to characterise nanoparticles and gives numerous case studies of basic science and industrial applications right up to the present. It is divided into two major sections, broadly covering Xray diffraction and small-angle X-ray scattering. Each section begins with a brief introduction to the technique and the information that can be obtained by using it, followed by a discussion on experimental considerations, with a particular focus on nanoparticle characterisation. The techniques and analysis methods are demonstrated by way of examples of a wide variety of nanoparticle materials and synthesis methods. Recent advances in related techniques such as anomalous scattering and pair distribution function analysis are also described and discussed.

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“…It is evidently very important to have accurate local structural information of these systems. Details of this study can be found in Peterson et al (2001). For the purpose of this paper, we concentrate on the nearest neighbor (NN) peak.…”

Section: Short Range Structurementioning

confidence: 99%

Obtaining structural information from the atomic pair distribution function

Proffen¹,

Page²

2004

Zeitschrift Für Kristallographie - Crystalline Materials

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Abstract. The knowledge of the detailed atomic structure of modern materials is the key to understanding the their macroscopic properties. The atomic pair distribution function (PDF) reveals short-range and medium-range structural information. In this paper we present an overview of refinement and modelling techniques. In short, we will be trying to answer the question: What can I learn from my PDF?

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Local atomic strain inZnSe1−xTexfrom high real-space resolution neutron pair distribution function measurements

Cited by 44 publications

References 31 publications

Nanoscale structure and atomic disorder in the iron-based chalcogenides

Nanoscale structure and atomic disorder in the iron-based chalcogenides

X-ray scattering characterisation of nanoparticles

Obtaining structural information from the atomic pair distribution function

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