EXAFS Studies of Semiconductor Microstructure

MRS Bulletin ◽  
1988 ◽  
Vol 13 (2) ◽  
pp. 36-39 ◽  
Author(s):  
Bruce A. Bunker

Extended X-Ray Absorption Fine Structure (EXAFS) is a technique capable of probing local structure in condensed- matter systems, determining distances, coordination numbers, and species of atoms near an x-ray excited atom. Further, this information is obtained separately for each constituent atomic species. EXAFS can be applied equally well to crystals, alloys, or even systems having no long-range order such as liquids, gases, and amorphous materials.Here we review EXAFS spectroscopy and its use in studying semiconductors. First, we show EXAFS in the study of impurities to determine the local environment of Fe implanted in Si. Second, we show how EXAFS can be used to determine local structural distortion in diluted magnetic semiconductors. We next demonstrate that EXAFS can determine the nature of the phase transition in ferroelectric Pb1-x Gex Te, where the transition is revealed to have an order-disorder character in contrast to GeTe where the transition is purely displacive. The theme of these examples is that EXAFS can determine the relative positions of atoms in condensed matter and that the short-range order as determinedn by EXAFS often differs from the long-range order or theoretical expectations.In the EXAFS technique, one measures the x-ray absorption coefficient as a function of x-ray energy. The absorption spectrum shows a number of x-ray edges corresponding to the threshold of excitation of core electrons from the sample's various atomic species. At energies above each of these edges, oscillations in the absorption coefficient are due to backscattering of the photoelectron from the neighboring atoms.

2014 ◽  
Vol 70 (a1) ◽  
pp. C1521-C1521
Author(s):  
Mikhail Soldatov ◽  
Kirill Lomachenko ◽  
Nikolay Smolentsev ◽  
Alexander Soldatov

Nanoscale local atomic structure determines most of unique properties of novel materials without long range order. To study its fine details one has to use both computer nanodesign and advanced experimental methods for nanodiagnostics. The status of modern theoretical analysis of the experimental x-ray absorption spectra to extract structural parameters is presented. Novel in-situ technique for nanodiagnostics - extracting of 3D structure parameters on the basis of advanced quantitative analysis of X-ray absorption near edge structure (XANES) - has been developed. The possibility to extract information on bond angles and bond-lengths (with accuracy up to 0.002 nm) is demonstrated and it opens new perspectives of quantitative XANES analysis as a 3D local structure probe for any type of materials without long range order in atoms positions (all nanostructured materials and free clusters belong to this class of materials). Even more possibilities are opening by using simultaneously several experimental synchrotron based techniques: XANES and XES and/or RIXS. In the framework of these approaches, the results of recent studies of local atomic structure for several types of nanostructures including nanoclusters with different types of chemical bonding, core-shell nanoneedles and thin films of dilute magnetic semiconductors, 5d-transition metal-organic complexes, Cu1+ and Cu2+ binding sites in amyloid-β peptide, Co aqua complexes in aqueous solution, nanostructured materials for hydrogen storage and nanocatalysts based on zeolites and MOF are reported. Along with the calculations of conventional XANES and XES, we show a possibility to simulate core-to-core and valence-to-core RIXS as well. Molecular orbitals (or DOS) of metal complexes can be directly related to the peaks in XES spectra in RIXS maps. This information is essential for understanding of electronic structure of metal complexes and design of novel materials.


1988 ◽  
Vol 127 ◽  
Author(s):  
R. B. Greegor ◽  
F. W. Lytle ◽  
B. C. Chakoumakos ◽  
G. R. Lumpkin ◽  
J. K. Warner ◽  
...  

ABSTRACTX-ray absorption spectroscopy has been used to investigate the Nb B-site in pyrochlores (A1.2B2O6Y0–1, Fd3m, Z=8) and samarskites (A3B5O16) in both metamict and annealed condition. The XANES and EXAFS measurements indicate significant changes in pyrochlore and smaller changes in samarskite as a result of radiation damage. In the metamict state the Nb site in both pyrochlores and samarskites is similar to Nb in Nb2O5. Short Nb-O (1.65Å) bonds are not disrupted by alpha-decay/recoil-nuclei events as much as longer bonds (2.00Å). This increases the asymmetry and static disorder at the local Nb site while long range order is greatly diminished resulting in considerable distribution in Nb-M distances and bond angles.


1982 ◽  
Vol 37 (11) ◽  
pp. 1361-1368 ◽  
Author(s):  
H.-J. Schweizer ◽  
Reginald Gruehn

By using chemical transport reactions with various transporting agents (HgCl2, NbCl5, Nb3O7Cl) a slightly substoiehiometric NbO2-phase, β-NbO2, was obtained from samples with O/Nb ∼ 1.5 (source; T > 1373 K) and with deposition temperatures > 1273 K (sink). The rango of composition of β-NbO2 was found to exist from NbO1.990 to NbO1.998.The structure of the tetragonal, column-shaped black crystals was determined by X-ray diffraction. It crystallizes tetragonally in the space group I41 with lattice constants a = 9.693(3) Å, c = 5.985(1) Å and Z = 10 formula units.The crystal structure of β-NbO2 is shown to be a deformed rutile type. As in α-NbO2 the Nb-atoms are grouped in pairs. However, both oxides are different with respect to their long-range order.


2001 ◽  
Vol 668 ◽  
Author(s):  
C.-H. Chang ◽  
Su-Huai Wei ◽  
S. P. Ahrenkiel ◽  
J. W. Johnson ◽  
B.J. Stanbery ◽  
...  

ABSTRACTThe observed junction between α-CuInSe2 and the In-rich compositions in the β-phase domain (e.g. CuIn3Se5) appears to play an important role in the photovoltaic process [1]. There remain, however, inconsistencies and uncertainties about the boundary and structure of this phase. In general the structure of this phase belongs to defect tetrahedral family of structures [2], which can be described as normal tetrahedral structures with a certain fixed number of unoccupied structure sites. In this work, the local structures of various (Cu2Se)x(In2Se3)1−x semiconductor alloys in the β-phase domain were studied by Extended X-ray Absorption Fine Structure (EXAFS) and the results were compared to those for the α-CuInSe2 phase. The long- range order of these compositions was studied by X-Ray powder Diffraction (XRD) and electron diffraction. It was found the local structures of these compounds are well defined. These compounds, however, could not be well described by any long-range order structure model, especially the selenium position. First-principles band structure calculations were performed to assist in assigning crystal structures to CuInSe2, CuIn3Se5 and CuIn5Se8. The calculations indicated that the local environments of these compounds are well defined. Their long-range order might depend sensitively on growth history and the configurational entropies as suggested by the similar formation energies of several possible crystal structures for CuIn3Se5 and CuIn5Se8.


2012 ◽  
Vol 86 (2) ◽  
Author(s):  
M. Maret ◽  
C. Brombacher ◽  
P. Matthes ◽  
D. Makarov ◽  
N. Boudet ◽  
...  

2002 ◽  
Vol 88 (20) ◽  
Author(s):  
A. V. Petukhov ◽  
D. G. A. L. Aarts ◽  
I. P. Dolbnya ◽  
E. H. A. de Hoog ◽  
K. Kassapidou ◽  
...  

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