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Title
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Ab initio calculation of the energy-loss near-edge structure of some carbon allotropes: comparison with n-diamond
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Author
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Abstract
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| The energy-loss near-edge structure (ELNES) spectra of several carbon allotropes (non-hydrogenated and hydrogenated face-centered cubic (FCC) carbon, rhombohedral carbon, glitter, hexagonite and lonsdaleite) are calculated within the supercell-core-excited density functional theory approach. In particular an experimental ELNES spectrum of new diamond (n-diamond) [Konyashin et al., Diamond Relat. Mater. 10, (2001) 99102] is compared with the ELNES spectra of FCC carbon, rhombohedral carbon and the so-called glitter structure. Our calculations show that the ELNES spectrum considered in that publication cannot be that of FCC carbon. |
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Language
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English
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Source (journal)
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Diamond and related materials. - Amsterdam
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Publication
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Amsterdam
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2010
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ISSN
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0925-9635
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DOI
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10.1016/J.DIAMOND.2009.11.004
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Volume/pages
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19
:1
(2010)
, p. 73-77
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ISI
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000274234500013
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Full text (Publisher's DOI)
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