Characterizing CA(2) and CA(6) using elnes

Atay, A. and Carter, C. B. and Rulis, P. and Ching, W. Y. and Arslan, I. and Gülgün, Mehmet Ali (2010) Characterizing CA(2) and CA(6) using elnes. Journal of Solid State Chemistry, 183 (8). pp. 1776-1784. ISSN 0022-4596

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Calcium aluminates, compounds in the CaO-Al2O3 phase system, are used in high-temperature cements and refractory oxides and have wide range of potential technological applications due to their interesting optical, electrical, thermal, and mechanical properties. They are used in both crystalline and glassy form; the glass is an isotropic material while the crystalline materials may be highly anisotropic. This paper will consider two particular crystalline materials, CA(2) and CA(6), but the results should be applicable to all calcium aluminates. Although CA(2) and CA(6) crystals contain the same chemical species, Ca, Al, and O, the coordination and local environments of these species are different in the two structures and hence they show very different energy-loss near-edge structures (ELNES) when examined by electron energy-loss spectroscopy (EELS) in the TEM. The data obtained using ELNES can effectively provide a fingerprint for each compound and a map for their electronic structure. Once such fingerprints are obtained, they can be used to identify nano-sized particles/grains or material at interfaces and grain boundaries. In the present study, the local symmetry fingerprints for CA(2) and CA(6) structures are reported combining experimental spectra with electronic-structure calculations that allow the different features in the spectra to be interpreted. Al-L-2,L-3 and O-K edge core-loss spectra from CA(2) and CA(6) were measured experimentally using electron energy-loss spectroscopy in a monochromated scanning transmission electron microscope. The near-edge structures were calculated for the different phases using the orthogonalized linear combination of atomic-orbitals method, and took account of core-hole interactions. It is shown that CA(2) and CA(6) structures exhibit distinctive experimental ELNES fingerprints so that these two phases can be separately identified even when present in small volumes.
Item Type: Article
Uncontrolled Keywords: Calcium aluminates; ELNES; STEM; TEM; Ab initio calculations; EELS; X-ray diffraction
Subjects: Q Science > QD Chemistry > QD450-801 Physical and theoretical chemistry
Q Science > QD Chemistry > QD146-197 Inorganic chemistry
Divisions: Faculty of Engineering and Natural Sciences > Academic programs > Materials Science & Eng.
Faculty of Engineering and Natural Sciences
Depositing User: Mehmet Ali Gülgün
Date Deposited: 24 Aug 2010 11:31
Last Modified: 25 Jul 2019 12:02

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