Local structure studies using the pair distribution function

<p>Defect engineering is a powerful tool that can be used to tailor the properties of metal–organic frameworks (MOFs). Here, we incorporate defects through ball milling to systematically vary the porosity of the giant pore MOF, MIL-100 (Fe). We show that milling leads to the breaking of metal–linker bonds, generating more coordinatively unsaturated metal sites, and ultimately causes amorphisation. Pair distribution function analysis shows the hierarchical local structure is partially</p><p>retained, even in the amorphised material. We find that the solvent toluene stabilises the MIL-100 (Fe) framework against collapse and leads to a substantial rentention of porosity over the non-stabilised material.</p>

Download Full-text

Evidence for a Universal Relationship Between Magnetization and Changes in the Local Structure

International Journal of Modern Physics B ◽

10.1142/s0217979203021691 ◽

2003 ◽

Vol 17 (18n20) ◽

pp. 3726-3728 ◽

Cited By ~ 3

Author(s):

L. Downward ◽

F. Bridges ◽

D. Cao ◽

J. Neumeier ◽

L. Zhou

Keyword(s):

Magnetic Field ◽

Distribution Function ◽

Local Structure ◽

Pair Distribution Function ◽

Colossal Magnetoresistance ◽

X Ray ◽

Polaron State ◽

Universal Relationship ◽

High Fields ◽

X Ray Absorption

X-ray Absorption Fine Structure (XAFS) measurements of the colossal magnetoresistance (CMR) sample La 0.79 Ca 0.21 MnO 3 at high fields indicate a decrease in the width parameter of the pair distribution function, σ, as the applied magnetic field is increased for T near Tc. The change in σ2 from the disordered polaron state varies approximately exponentially with magnetization irrespective of whether the sample magnetization was achieved through a change in temperature or the application of an external magnetic field. This suggests a more universal relationship between local structure and the sample magnetization than was previously indicated.

Download Full-text

Probing the local structure of doped manganites using the atomic pair distribution function

Applied Physics A ◽

10.1007/s003390201846 ◽

2002 ◽

Vol 74 (0) ◽

pp. s1770-s1772 ◽

Cited By ~ 9

Author(s):

T. Proffen ◽

S.J.L. Billinge

Keyword(s):

Distribution Function ◽

Local Structure ◽

Pair Distribution Function ◽

Atomic Pair Distribution Function ◽

Atomic Pair ◽

Doped Manganites

Download Full-text

Local order in wüstite using a pair distribution function (PDF) approach

Mineralogical Magazine ◽

10.1180/minmag.2014.078.2.10 ◽

2014 ◽

Vol 78 (2) ◽

pp. 373-385 ◽

Cited By ~ 3

Author(s):

T. R. Welberry ◽

D. J. Goossens ◽

A. P. Heerdegen

Keyword(s):

Distribution Function ◽

Size Effect ◽

Powder Diffraction ◽

Local Structure ◽

Pair Distribution Function ◽

Local Order ◽

Defect Clusters ◽

Disordered Structure ◽

Correlation Structures ◽

The Individual

AbstractWe show how different aspects of a model of the complex disordered structure of wüstite, Fe1−xO, affect the pair distribution function (PDF) and powder diffraction pattern. The aim is to assess the efficacy of using these techniques to determine details of local structure. The different aspects include the nature of the individual defect clusters, the nature of the paracrystalline superlattice on which they are distributed and the ‘size-effect’ relaxation of the basic rocksalt FeO matrix around the defects. The results show that PDF data are sensitive to those aspects of the models that have a significant effect on the populations of interatomic spacings but are less able to determine correlation structures in the samples if these do not have a substantial interaction with interatomic separations.

Download Full-text