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1

Kurata, Hiroki, Kazuhiro Nagai, Seiji Isoda, and Takashi Kobayashi. "ELNES of Iron Compounds." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 2 (August 12, 1990): 28–29. http://dx.doi.org/10.1017/s0424820100133734.

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Electron energy loss spectra of transition metal oxides, which show various fine structures in inner shell edges, have been extensively studied. These structures and their positions are related to the oxidation state of metal ions. In this sence an influence of anions coordinated with the metal ions is very interesting. In the present work, we have investigated the energy loss near-edge structures (ELNES) of some iron compounds, i.e. oxides, chlorides, fluorides and potassium cyanides. In these compounds, Fe ions (Fe2+ or Fe3+) are octahedrally surrounded by six ligand anions and this means that the local symmetry around each iron is almost isotropic.EELS spectra were obtained using a JEM-2000FX with a Gatan Model-666 PEELS. The energy resolution was about leV which was mainly due to the energy spread of LaB6 -filament. The threshole energies of each edges were measured using a voltage scan module which was calibrated by setting the Ni L3 peak in NiO to an energy value of 853 eV.
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2

Hébert, C., P. Schattschneider, H. Franco, and B. Jouffrey. "ELNES at magic angle conditions." Ultramicroscopy 106, no. 11-12 (October 2006): 1139–43. http://dx.doi.org/10.1016/j.ultramic.2006.04.030.

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3

Tanaka, Isao, Teruyasu Mizoguchi, and Tomoyuki Yamamoto. "XANES and ELNES in Ceramic Science." Journal of the American Ceramic Society 88, no. 8 (July 22, 2005): 2013–29. http://dx.doi.org/10.1111/j.1551-2916.2005.00547.x.

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4

Ikeno, Hidekazu, and Teruyasu Mizoguchi. "Basics and applications of ELNES calculations." Journal of Electron Microscopy 66, no. 5 (September 11, 2017): 305–27. http://dx.doi.org/10.1093/jmicro/dfx033.

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5

Mizoguchi, Teruyasu, and Shin Kiyohara. "Machine learning approaches for ELNES/XANES." Microscopy 69, no. 2 (January 29, 2020): 92–109. http://dx.doi.org/10.1093/jmicro/dfz109.

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Abstract Materials characterization is indispensable for materials development. In particular, spectroscopy provides atomic configuration, chemical bonding and vibrational information, which are crucial for understanding the mechanism underlying the functions of a material. Despite its importance, the interpretation of spectra using human-driven methods, such as manual comparison of experimental spectra with reference/simulated spectra, is becoming difficult owing to the rapid increase in experimental spectral data. To overcome the limitations of such methods, we develop new data-driven approaches based on machine learning. Specifically, we use hierarchical clustering, a decision tree and a feedforward neural network to investigate the electron energy loss near edge structures (ELNES) spectrum, which is identical to the X-ray absorption near edge structure (XANES) spectrum. Hierarchical clustering and the decision tree are used to interpret and predict ELNES/XANES, while the feedforward neural network is used to obtain hidden information about the material structure and properties from the spectra. Further, we construct a prediction model that is robust against noise by data augmentation. Finally, we apply our method to noisy spectra and predict six properties accurately. In summary, the proposed approaches can pave the way for fast and accurate spectrum interpretation/prediction as well as local measurement of material functions.
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6

Hébert-Souche, C., P. H. Louf, P. Blaha, M. Nelhiebel, J. Luitz, P. Schattschneider, K. Schwarz, and B. Jouffrey. "The orientation-dependent simulation of ELNES." Ultramicroscopy 83, no. 1-2 (May 2000): 9–16. http://dx.doi.org/10.1016/s0304-3991(99)00168-0.

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7

Altay, A., C. B. Carter, P. Rulis, W. Y. Ching, I. Arslan, and M. A. Gülgün. "Characterizing CA2 and CA6 using ELNES." Journal of Solid State Chemistry 183, no. 8 (August 2010): 1776–84. http://dx.doi.org/10.1016/j.jssc.2010.05.028.

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8

Lu, Jingying, and Shang-Peng Gao. "Theoretical ELNES fingerprints of BC2N polytypes." Computational Materials Science 68 (February 2013): 335–41. http://dx.doi.org/10.1016/j.commatsci.2012.11.001.

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9

Craven, A. J., and M. MacKenzie. "The Use of ELNES for Microanalysis." Microscopy and Microanalysis 5, S2 (August 1999): 664–65. http://dx.doi.org/10.1017/s1431927600016640.

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The performance of many materials systems depends on our ability to control the distribution of atoms on a nanometre or sub-nanometre scale within those systems. This is as true for steels as it is for semiconductors. A key requirement for improving their performance is the ability to determine the distribution of the elements resulting from processing the material under a given set of conditions. Analytical electron microscopy (AEM) provides a range of powerful techniques with which to investigate this distribution. By combining information from different techniques, many of the ambiguities of interpretation of the data from an individual technique can be eliminated. The electron energy loss near edge structure (ELNES) present on an ionisation edge in the electron energy loss spectrum reflects the local structural and chemical environments in which the particular atomic species occurs. Thus it is a useful contribution to the information available. Since a similar local environment frequently results in a similar shape, ELNES is useful as a “fingerprint”.
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10

Krivanek, Ondrej L., and James H. Paterson. "Elnes of 3d transition-metal oxides." Ultramicroscopy 32, no. 4 (May 1990): 313–18. http://dx.doi.org/10.1016/0304-3991(90)90077-y.

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11

Paterson, James H., and Ondrej L. Krivanek. "Elnes of 3d transition-metal oxides." Ultramicroscopy 32, no. 4 (May 1990): 319–25. http://dx.doi.org/10.1016/0304-3991(90)90078-z.

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12

Neumann, K. D., and J. C. H. Spence. "The electron energy loss near edge structure of MGO: Theory and experiment." Proceedings, annual meeting, Electron Microscopy Society of America 45 (August 1987): 126–27. http://dx.doi.org/10.1017/s0424820100125567.

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A similiarity between theoretical calculations of the differential scattering cross section for electron energy-loss near edge structure (ELNES) and the cross section for x-ray absorption near edge structure (XANES) has been demonstrated by several workers (see, e.g. Leapman et al). Since theoretical XANES calculations using band structure methods have often given impressive agreement with experimental results, it is expected hat these same methods can be used under certain experimental conditions to fit ELNES theory to experimental data. The interpretation of ELNES may however, be subject to additional complications involving the multiple scattering of both the beam electron and the ejected core electron. Band structure calculations and multiple scattering techniques have also been used to interpret the ELNES of the carbon K-edge in Be2C. MgO has also been studied using the K.K.R. or Green's function method by Lindner et al. Here we report a further comparison of theoretical and experimental ELNES for MgO.
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13

Srot, V., UGK Wegst, U. Salzberger, CT Koch, and PA van Aken. "ELNES Investigations of Interfaces in Abalone Shell." Microscopy and Microanalysis 16, S2 (July 2010): 1218–19. http://dx.doi.org/10.1017/s1431927610057314.

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14

Köstlmeier, S., S. Nufer, T. Gemming, and M. Rühle. "Variation of the ELNES Under Channeling Conditions." Microscopy and Microanalysis 7, S2 (August 2001): 342–43. http://dx.doi.org/10.1017/s1431927600027781.

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The orientation dependence of the fine structure of the Al L1 and L2,3 electron energy loss (EELS) edges in (α-Al2O3 has been investigated by measurements with a dedicated scanning transmission electron microscope (VG HB501 STEM, 100 keV acceleration voltage). α-Al2O3 is an anisotropic solid with a complicated alternating stacking sequence of fee Al and hcp O planes along the [0001] direction [1]. This distingiushes the [0001] direction crystallographically, as the highest-order three-fold rotation axes (C3) of the trigonal crystal structure are parallel to [0001], whereas all other symmetry elements are of lower order. Group theory predicts, that more stringent symmetry selection rules apply when electronic transitions are excited by irradiation parallel to the low-index [0001] zone axis than by irradiation along any other arbitrary direction.Yet, even for a low-energy EELS edge (θE = 0.4 mrad) both scattering parallel and perpendicular to the incident beam direction are likely.
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15

McComb, David W., Poul L. Hansen, and Rik Brydson. "A study of silicon ELNES in nesosilicates." Microscopy Microanalysis Microstructures 2, no. 5 (1991): 561–68. http://dx.doi.org/10.1051/mmm:0199100205056100.

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16

Hansen, P. L., D. McComb, and R. Brydson. "ELNES fingerprint of Al coordination in nesosilicates." Micron and Microscopica Acta 23, no. 1-2 (January 1992): 169–70. http://dx.doi.org/10.1016/0739-6260(92)90122-t.

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17

Poe, B., F. Seifert, T. Sharp, and Z. Wu. "ELNES spectroscopy of mixed Si coordination minerals." Physics and Chemistry of Minerals 24, no. 7 (September 16, 1997): 477–87. http://dx.doi.org/10.1007/s002690050062.

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18

Sauer, H., R. Brydson, W. Engel, and P. N. Rowley. "Coordination “Fingerprints” of Boron Measured by EELS." Proceedings, annual meeting, Electron Microscopy Society of America 48, no. 2 (August 12, 1990): 54–55. http://dx.doi.org/10.1017/s0424820100133862.

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The electron energy-loss near-edge structure (ELNES) associated with a core-loss edge measured using electron energy-loss spectroscopy (EELS) provides, in favourable cases, a “fingerprint” corresponding to the specific nearest-neighbour coordination of the excited atom.Boron atoms in boron-oxygen compounds occur in both trigonal (BO3) and tetrahedral (BO4) coordinations. The B K-ELNES of BO3 and BO4 units (Figs, le and 2b) are remarkably different and arise from the differing local symmetries which determine the final state molecular orbitals. The BK-ELNES of BO3 units exhibit a sharp π∗ peak at ca. 194 eV followed by a broader σ∗ peak some 9-10 eV higher in energy, which may possess a low energy shoulder. BO4 B K-ELNES show no π∗ peak and display solely a σ∗ peak at ca. 199 eV together with a high energy shoulder. Both these spectra may be modelled using multiple scattering calculations.The mineral howlite contains both BO3 and BO4 units and is sensitive to electron-beaminduced damage.
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19

Haruta, Mitsutaka, Hiroki Kurata, Hiroshi Komatsu, Yuichi Shimakawa, and Seiji Isoda. "Detection of Jahn-Teller Distortion by Using Site-resolved ELNES." Materia Japan 48, no. 12 (2009): 638. http://dx.doi.org/10.2320/materia.48.638.

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20

Tanaka, Isao, Teruyasu Mizoguchi, Masato Yoshiya, Kazuyoshi Ogasawara, Hirohiko Adachi, Shang‐Di Mo, and Wai Yim Ching. "First principles calculation of ELNES by LCAO methods." Journal of Electron Microscopy 51, suppl 1 (March 27, 2002): S107—S112. http://dx.doi.org/10.1093/jmicro/51.supplement.s107.

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21

Brydson, Rik. "Multiple scattering theory applied to ELNES of interfaces." Journal of Physics D: Applied Physics 29, no. 7 (July 14, 1996): 1699–708. http://dx.doi.org/10.1088/0022-3727/29/7/004.

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22

Gallegos-Orozco, V., E. García-Sánchez, JM Cervantes-V., P. de Lira-Gómez, F. Espinosa-Magaña, and A. Santos-Beltrán. "Electron-Loss Near-Edge Structure (ELNES) of BaTiO3." Microscopy and Microanalysis 16, S2 (July 2010): 1544–45. http://dx.doi.org/10.1017/s1431927610058885.

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23

Eastman, M., R. Schaller, A. Besser, and J. Jiao. "Crystalline Structure and ELNES of Branched Al2O3 Nanowires." Microscopy and Microanalysis 16, S2 (July 2010): 1788–89. http://dx.doi.org/10.1017/s1431927610061568.

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24

Mizoguchi, T., M. Kunisu, M. Yoshiya, I. Tanaka, H. Adachi, P. Rulis, and W. Y. Ching. "Chemical Bonding Analysis of AlN Polytypes by ELNES." Microscopy and Microanalysis 8, S02 (August 2002): 606–7. http://dx.doi.org/10.1017/s1431927602105976.

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25

Korb, W., D. Engel, R. Boesecke, G. Eggers, B. Kotrikova, N. O‘Sullivan, J. Raczkowsky, R. Marmulla, and S. Hassfeld. "PHANTOM-TESTS UND KLINISCHE PRÜFUNG ElNES CRANIOTOMIE-ROBOTERS." Biomedizinische Technik/Biomedical Engineering 48, s1 (2003): 108–9. http://dx.doi.org/10.1515/bmte.2003.48.s1.108.

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26

Duscher, G., S. Köstlmeier, B. Meyer, C. Elsässer, and N. Browning. "Ab-Initio Calculations of Density of States for Ti-Oxide." Microscopy and Microanalysis 3, S2 (August 1997): 961–62. http://dx.doi.org/10.1017/s1431927600011697.

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Electron energy-loss spectroscopy (EELS) has been shown to be a powerful tool to determine not only the chemistry, but also the electronic and atomic structure at grain boundaries by analysing the energy-loss near-edge structure (ELNES). However, as the experimental ability to obtain quality spectra from interfaces with high-spatial resolution is relatively new, the interpretation of ELNES has been mostly qualitative. Here we discuss the ability of ab-initio density of state calculations to perform detailed quantitative analysis at interfaces.In this methodology, ignoring any multiparticle effects such as excitons, the ELNES can be described as the symmetry projected density of states (DOS) and a matrix element varying slowly with energy. The calculated DOS, which best reproduce the experimental ELNES, are obtained using density functional theory (DFT) in the local density approximation (LDA) (i.e.: Weng et al.). Traditionally, because a high number of atoms (> 60) is needed to reproduce the periodicity of interface structures, more approximate methods such as the real-space multiple scattering method3 and its equivalent in reciprocal space (KKR-method) were used.
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27

Mizoguchi, Teruyasu, Eita Tochigi, Naoya Shibata, Yuichi Ikuhara, and Katsuyuki Matsunaga. "First Principles Calculation of ELNES/XANES for Materials Science." Materia Japan 53, no. 9 (2014): 414–18. http://dx.doi.org/10.2320/materia.53.414.

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28

He, L. L., H. Q. Ye, T. Oikawa, Y. Murakami, and D. Shindo. "ELNES in Hexagonal and Cubic Boron Nitrides Evaluated with DV-Xα Method." Microscopy and Microanalysis 7, S2 (August 2001): 1150–51. http://dx.doi.org/10.1017/s1431927600031822.

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The hexagonal boron nitride (h-BN) exhibits a phase transformation to the cubic one (c-BN), the latter of which is well known as the second hardest material so far, under high pressure. This transformation is accompanied not only by the geometrical change in the crystal structure, e.g. stacking sequence of the close-packed planes, but also change in the chemical bonding from sp2 to sp3 characters. Electron energy-loss spectroscopy (EELS) is a hopeful way to characterize the state of bonding around the phase boundaries etc., and will provide rich information on the transformation mechanism. However, the energy-loss near-edge structure (ELNES) is rather sensitive to the orientation of specimens, if the structure is anisotropic as in the case of h-BN. This is sometimes obstructive to evaluations of ELNES, whereas a detailed investigation on this peculiar effect is needed. in the present work, the angular dependence of ELNES in h-BN was extensively studied by both calculations with DV-Xα (Discrete Variational X α cluster) method and experiments, beside investigations of the c-BN.
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29

Wenzel, Olivia, Viktor Rein, Radian Popescu, Claus Feldmann, and Dagmar Gerthsen. "Structural Properties and ELNES of Polycrystalline and Nanoporous Mg3N2." Microscopy and Microanalysis 26, no. 1 (January 10, 2020): 102–11. http://dx.doi.org/10.1017/s1431927619015307.

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AbstractNanoporous, high-purity magnesium nitride (Mg3N2) was synthesized with a liquid ammonia-based process, for potential applications in optoelectronics, gas separation and catalysis, since these applications require high material purity and crystallinity, which has seldom been demonstrated in the past. One way to evaluate the degree of crystalline near-range order and atomic environment is electron energy-loss spectroscopy (EELS) in a transmission electron microscope. However, there are hardly any data on Mg3N2, which makes identification of electron energy-loss near-edge structure (ELNES) features difficult. Therefore, we have studied nanoporous Mg3N2 with EELS in detail in comparison to EELS spectra of bulk Mg3N2, which was analyzed as a reference material. The N-K and Mg-K edges of both materials are similar. Despite having the same crystal structure, however, there are differences in fine-structural features, such as shifts and absences of peaks in the N-K and Mg-K edges of nanoporous Mg3N2. These differences in ELNES are attributed to coordination changes in nanoporous Mg3N2 caused by the significantly smaller crystallite size of 2–6 nm compared to the larger (25–125 nm) crystal size in a bulk material.
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30

Docherty, F. T., A. J. Craven, D. W. McComb, and J. Skakle. "ELNES investigations of the oxygen K-edge in spinels." Ultramicroscopy 86, no. 3-4 (February 2001): 273–88. http://dx.doi.org/10.1016/s0304-3991(00)00119-4.

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31

Lu, Sirong, Kristy J. Kormondy, Thong Q. Ngo, Elliott Ortmann, Toshihiro Aoki, Agham Posadas, John G. Ekerdt, Alexander A. Demkov, Martha R. McCartney, and David J. Smith. "ELNES spectrum unmixing and mapping for oxide/oxide interfaces." Microscopy and Microanalysis 23, S1 (July 2017): 1588–89. http://dx.doi.org/10.1017/s1431927617008601.

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32

Bruley, John. "ELNES: An Electron Spectroscopic Tool to Study Complex Microstructures." Microscopy Today 2, no. 1 (February 1994): 19–20. http://dx.doi.org/10.1017/s155192950006212x.

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The presence of internal boundaries can significantly influence many important properties of materials, such as fracture toughness, creep, electrical conductivity and magnetic behavior. Interfacial structure, chemical composition and bonding, on a nanometer length scale, are often controlling and sought after factors influencing these properties. An electron spectroscopic technique, known as energy-loss near edge structure (ELNES) analysis, can be utilized to probe compositional and bonding variations with a spatial resolution less than 1 nm and is therefore well suited to this endeavor.When a fast electron passes through a material in an electron microscope, it collides with the electrons bound to the atoms in that sample. As a result, the fast electron often gives up a small fraction of its kinetic energy to the bound electrons. The laws of quantum mechanics dictate that these so-called inelastic scattering events will only take place if the bound electron can gain enough energy to enter an empty energy level.
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33

Santos-Beltrán, A., S. Maldonado-Ruiz, R. Martínez-Sánchez, F. Espinosa-Magaña, H. Flores, and V. Gallegos-Orozco. "ELNES of Al-Al4C3 Nanoparticles Produced By Mechanical Milling." Microscopy and Microanalysis 14, S2 (August 2008): 362–63. http://dx.doi.org/10.1017/s1431927608084183.

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34

Bayle-Guillemaud, P., G. Radtke, and M. Sennour. "Electron spectroscopy imaging to study ELNES at a nanoscale." Journal of Microscopy 210, no. 1 (April 2003): 66–73. http://dx.doi.org/10.1046/j.1365-2818.2003.01179.x.

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35

Gao, Shang-Peng. "Ab initio calculation of ELNES/XANES of BeO polymorphs." physica status solidi (b) 247, no. 9 (May 4, 2010): 2190–94. http://dx.doi.org/10.1002/pssb.200945574.

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36

Nicholls, R. J., D. Nguyen-Manh, D. J. H. Cockayne, and S. Lazar. "The effect of structural changes on ELNES for C60." Chemical Physics Letters 470, no. 1-3 (February 2009): 116–18. http://dx.doi.org/10.1016/j.cplett.2009.01.026.

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37

Mizoguchi, Teruyasu, Weine Olovsson, Hidekazu Ikeno, and Isao Tanaka. "Theoretical ELNES using one-particle and multi-particle calculations." Micron 41, no. 7 (October 2010): 695–709. http://dx.doi.org/10.1016/j.micron.2010.05.011.

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38

Pankhurst, D. A., G. A. Botton, and C. J. Humphreys. "The Effect of Local Symmetry on Atomic Resolution EELS Near-Edge Structures: Predictions for Grain Boundaries In NiAl." Microscopy and Microanalysis 6, S2 (August 2000): 186–87. http://dx.doi.org/10.1017/s1431927600033420.

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It has been demonstrated that electron energy loss spectrometry (EELS) can be used to probe the electronic structure of materials on the near-atomic scale. The electron energy loss near edge structure (ELNES) observed after the onset of a core edge reflects a weighted local density of final states to which core electrons are excited by fast incident electrons. Lately ‘atomic resolution EELS’ and ‘column-by-column spectroscopy’ have become familiar themes amongst the EELS community. The next generation of STEMs, equipped with spherical aberration (Cs) correctors and electron beam monochromators, will have sufficient spatial and energy resolution, along with the superior signal to noise required, to detect small changes in the ELNES from atomic column to atomic column.Core loss ELNES provides information about unoccupied states, but the structure observed in spectra is sensitive to changes in the underlying occupied states, and thus to the bonding in the material.
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39

MIZOGUCHI, Teruyasu, and Isao TANAKA. "Theoretical Calculation of ELNES Using First Principles Band Structure Methods." Nihon Kessho Gakkaishi 47, no. 1 (2005): 73–78. http://dx.doi.org/10.5940/jcrsj.47.73.

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40

Hayashi, Toshinori, Kiyoaki Araki, Shuji Takatoh, Toru Enokijima, Tetsurou Yikegaki, Jun'ichi Tsukajima, Takashi Fujikawa, and Seiji Usami. "ELNES Measurement for the Adsorption of Oxygen on Ni(100)." Japanese Journal of Applied Physics 32, S2 (January 1, 1993): 182. http://dx.doi.org/10.7567/jjaps.32s2.182.

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41

Kurata, Hiroki, and Seiji Isoda. "Detection of Jahn-Teller Distortion by Using Site-resolved ELNES." Materia Japan 48, no. 12 (2009): 602. http://dx.doi.org/10.2320/materia.48.602.

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42

Withalm, C. L. "Über einen integraloperator für pseudoholomorphe funktionen modulo elnes haupterzeugenden-systems." Complex Variables, Theory and Application: An International Journal 4, no. 2 (April 1985): 155–61. http://dx.doi.org/10.1080/17476938508814100.

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43

Eustace, D. A., F. T. Docherty, D. W. McComb, and A. J. Craven. "ELNES as a probe of magnetic order in mixed oxides." Journal of Physics: Conference Series 26 (February 22, 2006): 165–68. http://dx.doi.org/10.1088/1742-6596/26/1/039.

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44

Schneider, R., J. Woltersdorf, and O. Lichtenberger. "ELNES across interlayers in SiC(Nicalon) fibre-reinforced Duran glass." Journal of Physics D: Applied Physics 29, no. 7 (July 14, 1996): 1709–15. http://dx.doi.org/10.1088/0022-3727/29/7/005.

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45

Payen, E., and R. Szymanski. "Application of elnes to the characterization of divided mixed oxides." Journal de Chimie Physique 86 (1989): 1277–92. http://dx.doi.org/10.1051/jcp/19898601277.

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46

Schattschneider, P., M. Stöger, C. Hébert, and B. Jouffrey. "The separation of surface and bulk contributions in ELNES spectra." Ultramicroscopy 93, no. 2 (November 2002): 91–97. http://dx.doi.org/10.1016/s0304-3991(02)00144-4.

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47

Stöger, M., P. Schattschneider, L. Y. Wei, B. Jouffrey, and C. Eisenmenger-Sittner. "Separation of pure elemental and oxygen influenced signal in ELNES." Ultramicroscopy 92, no. 3-4 (August 2002): 285–92. http://dx.doi.org/10.1016/s0304-3991(02)00145-6.

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48

Tomita, K., and T. Mizoguchi. "Excitonic Calculations of ELNES: Low Energy and High Energy Spectra." Microscopy and Microanalysis 21, S3 (August 2015): 2363–64. http://dx.doi.org/10.1017/s1431927615012593.

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49

Mizoguchi, Teruyasu, Kazuyoshi Tatsumi, and Isao Tanaka. "Peak assignments of ELNES and XANES using overlap population diagrams." Ultramicroscopy 106, no. 11-12 (October 2006): 1120–28. http://dx.doi.org/10.1016/j.ultramic.2006.04.027.

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Radtke, G., T. Epicier, P. Bayle-Guillemaud, and J. C. Le Bosse. "N-K ELNES study of anisotropy effects in hexagonal AlN." Journal of Microscopy 210, no. 1 (April 2003): 60–65. http://dx.doi.org/10.1046/j.1365-2818.2003.01178.x.

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