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Theoretical calculation for the multiplet structure of the tetrahedrally coordinated Cr4+ in Y3Al5O12 Ishii, T; Ogasawara, K; Adachi, H; Tanaka, I (2001-07-01) JOURNAL OF CHEMICAL PHYSICS, 115(1): 492-508 | |
Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations Moriwake, H; Tanaka, I; Oba, F; Koyama, Y; Adachi, H (2002-04-15) PHYSICAL REVIEW B, 65(15) | |
Multiplet structures of tetrahedrally coordinated Cr4+ and Cr5+ in Y3Al5O12 Ishii, T; Ogasawara, K; Adachi, H; Tanaka, I (2001-04-09) APPLIED PHYSICS LETTERS, 78(15): 2154-2156 | |
Relativistic cluster calculation of ligand-field multiplet effects on cation L-2,L-3 x-ray-absorption edges of SrTiO3, NiO, and CaF2 Ogasawara, K; Iwata, T; Koyama, Y; Ishii, T; Tanaka, I; Adachi, H (2001-09-15) PHYSICAL REVIEW B, 64(11) | |
Elastic constants and chemical bonding of LaNi5 and LaNi5H7 by first principles calculations Tatsumi, K; Tanaka, I; Tanaka, K; Inui, H; Yamaguchi, M; Adachi, H; Mizuno, M (2003) JOURNAL OF PHYSICS-CONDENSED MATTER, 15(38): 6549-6561 | |
First principles study of core-hole effect on fluorine K-edge X-ray absorption spectra of MgF2 and ZnF2 Yamamoto, T; Mizoguchi, T; Tatsumi, K; Tanaka, I; Adachi, H; Muramatsu, Y; Gullikson, EM; Perera, RCC (2004) MATERIALS TRANSACTIONS, 45(7): 1991-1993 | |
Evaluation of migration energy of lithium ions in chalcogenides and halides by first principles calculation Koyama, Y; Yamada, Y; Tanaka, I; Nishitani, SR; Adachi, H; Murayama, M; Kanno, R (2002) MATERIALS TRANSACTIONS, 43(7): 1460-1463 | |
Chemical bonding of Ag ions in AgI-based superionic conducting glasses Kowada, Y; Okamoto, M; Tanaka, I; Adachi, H; Tatsumisago, M; Minami, T (2004) JOURNAL OF NON-CRYSTALLINE SOLIDS, 345-46: 489-493 | |
Energetics of native defects in ZnO Oba, F; Nishitani, SR; Isotani, S; Adachi, H; Tanaka, I (2001) JOURNAL OF APPLIED PHYSICS, 90(2): 824-828 | |
First principles calculation of free energy on precipitate nucleation Seko, A; Nishitani, SR; Tanaka, I; Adachi, H (2004) JOURNAL OF THE JAPAN INSTITUTE OF METALS, 68(12): 973-976 |
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