Atomic arrangements in an amorphous CoFeB ribbon extracted via an analysis of radial distribution functions

Pussi, Katariina; Barbiellini, B.; Ohara, Koji; Yamada, Hiroki; Dwivedi, Jagrati; Bansil, Arun; Gupta, Ajay; Kamali, Saeed

doi:10.1088/1361-648x/ac1238

Cited by 8 publications

(4 citation statements)

References 64 publications

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“…The internal structure of these NPs was investigated via a quantitative evaluation of the pair distribution function (PDF),

G (r)

, based on high‐energy XRD (HE‐XRD) measurements, which are a powerful approach for determining structures of noncrystalline and disordered materials, and NPs. [ 20,24–46 ] We identify significant modifications in the structure of Au NPs upon deposition on the Si surface and our analysis clearly supports the formation of a Au‐silicide thin layer at the Au/Si interface. Properties of the Au–Si interface have been investigated by Hiraki et al, [ 47 ] who proposed that the interaction of Au with the Si substrate enables Si atoms to diffuse to the Au surface.…”

Section: Introductionsupporting

confidence: 57%

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Pussi

Barbiellini

Ohara

et al. 2022

Physica Status Solidi (b)

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Properties of gold nanoparticles (Au NPs) supported on Si substrates, which have been the focus of recent attention, depend sensitively on the size, structure, and coordination of Au NPs as well as on the processes of interdiffusion and chemical bonding at the Au–Si interface. There is a great need, therefore, for developing structural techniques capable of imaging such nanosystems in atomic detail. Here, it is discussed how the atomic structure of nanometer‐sized Au NPs deposited on a silicon surface can be determined by using high‐energy X‐ray diffraction measurements in combination with an analysis based on atomic‐pair‐distribution functions and advanced reverse Monte Carlo methods. This approach delivers simple and incisive pictures of the structure of Au clusters on Si and reveals direct structural evidence for the emergence of a Au‐silicide interface following room temperature deposition of Au NPs on Si. This study will contribute to designing Au/Si nanostructures with desirable properties.

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“…The internal structure of these NPs was investigated via a quantitative evaluation of the pair distribution function (PDF),

G (r)

Section: Introductionsupporting

confidence: 57%

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Pussi

Barbiellini

Ohara

et al. 2022

Physica Status Solidi (b)

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“…The RMC method can provide snapshot views of about 10 4 atoms, which is much larger than the number of atoms conventionally used in first-principles simulations [38,39], although efficient exploitation of high-performance computing resources is continuing to extend the reach of these precise computational methods to increasingly larger molecular and condensed matter systems [40]. If the RMC fit is consistent with all the data available, then the resulting configuration will accurately capture the structural characteristics of the sample being studied.…”

Section: Reverse Monte Carlo Analysis and Resultsmentioning

confidence: 99%

Atomic Structure of Mn-Doped CoFe2O4 Nanoparticles for Metal–Air Battery Applications

et al. 2023

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We discuss the atomic structure of cobalt ferrite nanoparticles doped with Mn via an analysis based on combining atomic pair distribution functions with high energy X-ray diffraction and high-resolution transmission electron microscopy measurements. Cobalt ferrite nanoparticles are promising materials for metal–air battery applications. Cobalt ferrites, however, generally show poor electronic conductivity at ambient temperatures, which limits their bifunctional catalytic performance in oxygen electrocatalysis. Our study reveals how the introduction of Mn ions promotes the conductivity of the cobalt ferrite electrode.

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“…The PDF approach has been shown to be a useful method for determining structures of non-crystalline and disordered materials as well as nanoparticles [25,30,.…”

Section: Total Scattering and Pdf Fundamentalsmentioning

confidence: 99%

“…Heterogeneity and disorder are important in connection with functional properties of materials. In CoFeB alloys, for example, disorder helps enhance spin polarization of the material [25].…”

Section: Introductionmentioning

confidence: 99%

Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction

Pussi¹,

Nokelainen²,

Louzguine‐Luzgin³

et al. 2022

J. Phys.: Condens. Matter

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Amorphous bulk metallic glasses with the composition Fe48Cr15Mo14C15B6Y2 have been of interest due to their special mechanical and electronic properties, including corrosion resistance, high yield-strength, large elasticity, catalytic performance, and soft ferromagnetism. Here, we apply a reverse Monte Carlo technique to unravel the atomic structure of these glasses. The pair-distribution functions for various atomic pairs are computed based on the high-energy x-ray diffraction data we have taken from an amorphous sample. Monte Carlo cycles are used to move the atomic positions until the model reproduces the experimental pair-distribution function. The resulting fitted model is consistent with our ab-initio simulations of the metallic glass. Our study contributes to the understanding of functional properties of Fe-based bulk metallic glasses driven by disorder effects.

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Atomic arrangements in an amorphous CoFeB ribbon extracted via an analysis of radial distribution functions

Cited by 8 publications

References 64 publications

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Atomic Structure of Mn-Doped CoFe2O4 Nanoparticles for Metal–Air Battery Applications

Atomic structure of an FeCrMoCBY metallic glass revealed by high energy x-ray diffraction

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