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- W2140304825 abstract "The V K-edge spectrum of a V-bearing grossular garnet (tsavorite) single crystal has been measured by high-energy resolution fluorescence detected X-ray absorption spectroscopy (HERFD-XAS). Firstprinciples calculations based on the density functional theory (DFT) reproduce the experimental spectra well, including the angular dependence of the pre-edge. The latter arises from pure electric quadrupole transitions since vanadium is incorporated in a centrosymmetric site, which inhibits the electric dipole transitions. An interpretation of the spectral features is given using a monoelectronic description of the transitions involved in the X-ray absorption process. The assignment of experimental pre-edge peaks in terms of 1s-3d transitions makes it possible to determine the magnitude of the 3d-splitting, which is similar to the 10 Dq crystal-field value determined from optical absorption spectroscopy. DFT calculations also indicate a full structural relaxation around V3+ substituting Al3+ in the garnet structure. The angular dependence only causes weak variations of the pre-edge intensity, which supports the use of V-bearing grossular garnet as a reference compound for octahedral V3+." @default.
- W2140304825 created "2016-06-24" @default.
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- W2140304825 date "2010-08-01" @default.
- W2140304825 modified "2023-09-30" @default.
- W2140304825 title "Electronic structure and local environment of substitutional V3+ in grossular garnet Ca3Al2(SiO4)3: K-edge X-ray absorption spectroscopy and first-principles modeling" @default.
- W2140304825 cites W1517708868 @default.
- W2140304825 cites W1518377977 @default.
- W2140304825 cites W1550186202 @default.
- W2140304825 cites W1599952791 @default.
- W2140304825 cites W1915067407 @default.
- W2140304825 cites W1963901012 @default.
- W2140304825 cites W1965109544 @default.
- W2140304825 cites W1970127494 @default.
- W2140304825 cites W1975632190 @default.
- W2140304825 cites W1982996670 @default.
- W2140304825 cites W1983853645 @default.
- W2140304825 cites W1991447074 @default.
- W2140304825 cites W1995485797 @default.
- W2140304825 cites W1999867925 @default.
- W2140304825 cites W2000391475 @default.
- W2140304825 cites W2001154751 @default.
- W2140304825 cites W2001721718 @default.
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- W2140304825 cites W2007235165 @default.
- W2140304825 cites W2013614623 @default.
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- W2140304825 cites W2026904115 @default.
- W2140304825 cites W2027456224 @default.
- W2140304825 cites W2027581929 @default.
- W2140304825 cites W2030350179 @default.
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- W2140304825 cites W2052154137 @default.
- W2140304825 cites W2052758999 @default.
- W2140304825 cites W2055640329 @default.
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- W2140304825 doi "https://doi.org/10.2138/am.2010.3432" @default.
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