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Yamamoto, Tomoyuki*; Mizoguchi, Teruyasu*; Tatsumi, Kazuyoshi*; Tanaka, Isao*; Adachi, Hirohiko*; Muramatsu, Yasuji; Gullikson, E. M.*; Perera, R. C. C.*
Materials Transactions, 45(7), p.1991 - 1993, 2004/07
Times Cited Count:7 Percentile:44.6(Materials Science, Multidisciplinary)First principles calculations have been carried out to investigate the core-hole effects on the theoretical fine structures of the X-ray absorption spectra of MgF and ZnF ath FK-edge. Experimental profiles of the near-edge X-ray absorption fine structures are well reproduced by the theoretical calculations when the core-hole effect is introduced. The dependence of supercell size on the theoretical fine structures is also examined.
Nakai, Ryodai; Nakamura, Hirofumi; Ichimiya, Masakazu; Muramatsu, Kazuyoshi*; Tanaka, Toshihiko*
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