Local structure of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">In</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Ga</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:mi mathvariant="normal">As</mml:mi></mml:math>semiconductor alloys by high-energy synchrotron

Jeong, I.-K.; Mohiuddin-Jacobs, F.; Petkov, Valeri; Billinge, Simon J. L.; Kycia, S.

doi:10.1103/physrevb.63.205202

Cited by 80 publications

(62 citation statements)

References 48 publications

(69 reference statements)

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“…However, peaks at higher-r region exhibit significant broadening ( Figure 5(b)) indicating that there is some structural relaxations taking place as bond-bending distortions, as has been observed before in semiconductor alloys. [80,81] This homogeneous strain increases rapidly for the ultra-small (CdSe_QD1) nanoparticles revealing that they have a significant compressive strain. Comparable behaviour is also seen with increases in the PDF peak broadening with decreasing nanoparticle size indicating that the inhomogeneous strain, or width of the bond-length distribution in the nanoparticles, also increases.…”

Section: Lattice Strain In Nanoparticlesmentioning

confidence: 99%

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Masadeh

2016

Journal of Experimental Nanoscience

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The conventional X-ray diffraction (XRD) methods probe for the presence of long-range order towards a solution of the average crystal structure. Experimentally, structural information about longrange, periodic atomic ordering is reflected in the Bragg scattering while local atomic structural deviations from the average structure mainly affect the diffuse scattering intensities. In order to obtain structural information about both average and local atomic structures, a technique that takes in account both Bragg and diffuse scattering needs to be employed, such as the total scattering atomic pair distribution function (PDF) technique. This article introduces a PDF-based methodology that can be applied to extract precise structural information about nanoparticles such as the size of the crystalline core region, the degree of crystallinity, the atomic structure of the core region, local bonding, and the degree of the internal disorder, as a function of the nanoparticle diameter. This article sheds light on a new PDF-based methodology that can yield precise quantitative structural information about small nanocrystals from XRD data, and also describes the essential aspects of this proposed methodology as well as its great potential. This method is generally applicable to the characterisation of the nanoscale solid, many of which may exhibit complex disordered structure.

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Section: Lattice Strain In Nanoparticlesmentioning

confidence: 99%

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Masadeh

2016

Journal of Experimental Nanoscience

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“…3, in the average length of the long-bond. Elastic relaxation in covalently bonded alloys analogous to the manganites results in a characteristic Z-plot [36,37] of bond-length vs. composition that is clearly not seen here. A principle strain relaxation mode through octahedral rotations is also indicated by enlarged U iso values in the insulating region of the phase diagram, as evident in Fig.…”

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confidence: 98%

Understanding the Insulating Phase in Colossal Magnetoresistance Manganites: Shortening of the Jahn-Teller Long-Bond across the Phase Diagram ofLa1−xCaxMnO3

et al. 2007

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The detailed evolution of the magnitude of the local Jahn-Teller (JT) distortion in La1−xCaxMnO3 is obtained across the phase diagram for 0 ≤ x ≤ 0.5 from high quality neutron diffraction data using the atomic pair distribution function (PDF) method. A local JT distortion is observed in the insulating phase for all Ca concentrations studied. However, in contrast with earlier local structure studies its magnitude is not constant, but decreases continuously with increasing Ca content. This observation is at odds with a simple small-polaron picture for the insulating state.

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“…Six powder samples of Ga 1−x In x As, with x = 0.0, 0.17, 0.5, 0.67, 0.83 and 1.0, were measured. The samples were made by standard methods and the details of the sample preparation will be reported elsewhere [10]. All measurements were done in symmetric transmission geometry at 10K.…”

mentioning

confidence: 99%

“…Scattered radiation was collected with an intrinsic germanium detector connected to a multi-channel analyzer. The elastic component was separated from the incoherent Compton scattering before data analysis [10]. Several diffraction runs were conducted with each sample and the resulting spectra averaged to improve the statistical accuracy.…”

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High Real-Space Resolution Measurement of the Local Structure ofGa1−xInxAsUsi

et al. 1999

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High real-space resolution atomic pair distribution functions (PDF)s from the alloy series Ga1−xInxAs have been obtained using high-energy x-ray diffraction. The first peak in the PDF is resolved as a doublet due to the presence of two nearest neighbor bond lengths, Ga-As and In-As, as previously observed using XAFS. The widths of nearest, and higher, neighbor pairs are analyzed by separating the strain broadening from the thermal motion. The strain broadening is five times larger for distant atomic neighbors as compared to nearest neighbors. The results are in agreement with model calculations.The average atomic arrangement of crystalline semiconductor alloys is usually obtained from the position and intensities of the Bragg peaks in a diffraction experiment [1], and the actual nearest neighbor and sometimes next nearest neighbor distances for various pairs of atoms by XAFS measurements [2]. In this Letter we show how high energy x-ray diffraction and the resulting highresolution atomic pair distribution functions (PDF)s can be used for studying the internal strain in Ga 1−x In x As alloys. We show that the first peak in the PDFs can be resolved as a doublet and, hence, the mean position and also the widths of the Ga-As and In-As bond length distributions determined. The detailed structure in the PDF can be followed out to very large distances and the widths of the various peaks obtained. We use the concentration dependence of the peak widths to separate the strain broadening from the thermal broadening. At large distances the strain broadening is shown to be about five times larger than for nearest neighbor pairs. Using a simple valence force field model, we get good agreement with the experimental results.

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Local structure ofInxGa1−xAssemiconductor alloys by high-energy synchrotron

Cited by 80 publications

References 48 publications

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Total scattering atomic pair distribution function: new methodology for nanostructure determination

Understanding the Insulating Phase in Colossal Magnetoresistance Manganites: Shortening of the Jahn-Teller Long-Bond across the Phase Diagram ofLa1−xCaxMnO3

High Real-Space Resolution Measurement of the Local Structure ofGa1−xInxAsUsi

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