AbstractAbstract
[en] The electronic structures of two groups of intermetallic compounds and alloys containing Fe, V, or Ni are studied by X-ray absorption near-edge spectra (XANES) at the Fe, V, and Ni L2,3 edges and the Fe K edge. The XANES spectra are compared with those calculated with two theoretical methods. The differences in the XANES spectra of compounds containing Ni calculated by these two methods are discussed. Except for NiGa, a reasonable good agreement between theory and experiment was found for all materials. The density of states at the Fermi energy at different atomic sites are also calculated for the compounds and alloys containing Fe
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S0925838803012362; Copyright (c) 2003 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Hsu, L.-S; Guo, G.Y.; Denlinger, J.D.; Allen, J.W.
Ernest Orlando Lawrence Berkeley National Lab., Advanced Light Source, Berkeley, CA (United States). Funding organisation: US Department of Energy (United States)2001
Ernest Orlando Lawrence Berkeley National Lab., Advanced Light Source, Berkeley, CA (United States). Funding organisation: US Department of Energy (United States)2001
AbstractAbstract
No abstract available
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LBNL/ALS--43591; AC03-76SF00098; Journal Publication Date: June 2001
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Hsu, L.-S.; Guo, G.Y.; Wang, Y.-K., E-mail: phhsu@cc.ncue.edu.tw2003
AbstractAbstract
[en] The electronic structure of Fe3Al is studied by X-ray absorption near-edge spectrum (XANES) at the Fe K edge. The XANES spectrum is compared with that calculated by theory. The experimental XANES features for this intermetallic compound reflect the Fe-p unoccupied density of states (DOS). The magnetic moments and the DOS at the Fermi energy at different atomic sites and spins are calculated and compared with experimental and other theoretical values. The number of Fe d electrons in Fe3Al is calculated to be 6.25
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S0168583X02014210; Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Journal Article
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Numerical Data
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Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms; ISSN 0168-583X; ; CODEN NIMBEU; v. 199(1-4); p. 200-204
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Guo, G.-Y.; Wang, Y.K.; Hsu, L.-S., E-mail: gyguo@phys.ntu.edu.tw2002
AbstractAbstract
[en] The electronic structure, mechanical and magnetic properties of Ni3Al, Ni3Ga and Ni3In have been studied by spin-density functional theory with generalized gradient approximation and also by X-ray absorption near-edge spectra (XANES) at the Ni, Ga K edges. The calculated lattice constants and bulk modulii are in good agreement with experiments. All three compounds have a similar calculated density of states (DOS) spectrum and are predicted to be a weak ferromagnet. The measured Ni(Ga) K-edge XANES are well explained by the theoretical XANES and unoccupied Ni(Ga)-p DOS, suggesting that XANES is a useful probe of the electronic structure of the intermetallics
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S0304885301005649; Copyright (c) 2002 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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ALUMINIUM COMPOUNDS, BINARY ALLOY SYSTEMS, DENSITY FUNCTIONAL METHOD, ELECTRONIC STRUCTURE, FERROMAGNETISM, GALLIUM COMPOUNDS, INDIUM COMPOUNDS, INTERMETALLIC COMPOUNDS, LATTICE PARAMETERS, MAGNETIC PROPERTIES, MAGNETISM, MECHANICAL PROPERTIES, NICKEL COMPOUNDS, SPIN, X-RAY SPECTRA, X-RAY SPECTROSCOPY
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Hsu, L.-S.; Wang, Y.-K.; Tai, Y.-L., E-mail: phhsu@cc.ncue.edu.tw2006
AbstractAbstract
[en] X-ray absorption near-edge spectroscopy (XANES) spectra of Mn1-xCr xAu2 (x = 0, 0.05, 0.08, and 0.13) are presented and compared with theoretical XANES spectra and site- and momentum-decomposed partial density of states. Extended X-ray absorption fine structure spectra of these compounds are also analyzed to yield the bonding parameters
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S0925-8388(05)01335-6; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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AbstractAbstract
[en] The electronic structures of four polycrystalline borocarbide superconductors Y1-xRxPd2B2C (R = Gd, Dy, Ho, and Er) were studied by photoabsorption spectroscopy and theoretical calculation. The Pd and rare-earth L3-edge X-ray absorption near edge spectra (XANES) are compared with the calculated XANES spectra for these intermetallic compounds. The decrease of the superconducting transition temperatures with addition of rare-earth dopant in these compounds is not due to a decrease of the total density of states at the Fermi energy
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S0925-8388(04)01034-5; Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Hsu, L.-S.; Chen, C.-J.; Lan, M.-D., E-mail: phhsu@cc.ncue.edu.tw2005
AbstractAbstract
[en] The electronic structures of five polycrystalline YNi2-xCo xB2C (x = 0, 0.05, 0.1, 0.15, and 0.2) borocarbide superconductors were studied by photoemission and photoabsorption spectroscopy. The resonant photoemission spectroscopy around the Ni 2p3/2 absorption edge is used to study the 6-eV valence-band satellite of Ni. The Ni and Co K-edge X-ray absorption near edge spectra for these intermetallic compounds are compared with those of Ni and Co powder and foil, respectively
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S0925-8388(05)00035-6; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Hsu, L.-S.; Wang, Y.-K.; Tai, Y.-L.; Lee, J.-F., E-mail: phhsu@cc.ncue.edu.tw2006
AbstractAbstract
[en] X-ray absorption near-edge spectroscopy (XANES) spectra at the Ni K-, In L3-, and In K-edge of Ni3In and Ni13In9 are presented and compared with theoretical XANES spectra and site- and momentum-decomposed partial density of states derived from first-principles calculation. The agreement between theory and experiment is better for Ni3In than for Ni13In9. Extended X-ray absorption fine structure spectra of Ni3Al, Ni3Ga, Ni3In, and Ni13In9 are also analyzed to yield the bonding parameters
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S0925-8388(05)01155-2; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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Hsu, L.-S.; Murakawa, T.; Fujiwara, H.; Sekiyama, A.; Suga, S.; Imada, S.; Yano, M.; Miyamachi, T.; Higashimichi, H.; Yamaguchi, J.; Funabashi, G.; Yabashi, M.; Ishikawa, T.; Higashiya, A., E-mail: phhsu@yahoo.com2007
AbstractAbstract
[en] X-ray photoemission spectra of Mn1-xCr xAu2 (x = 0, 0.05, and 0.13) are presented and compared with theoretical total and partial density of state (DOS) curves. Site- and spin-decomposed partial DOS and magnetism of these materials are also discussed
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S0925-8388(06)01102-9; Copyright (c) 2006 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
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