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書誌情報	ファイル
First-principles study of bulk ordering and surface segregation in Pt-Rh binary alloys Yuge, K; Seko, A; Kuwabara, A; Oba, F; Tanaka, I (2006-11) PHYSICAL REVIEW B, 74(17)
General rule for displacive phase transitions in perovskite compounds revisited by first principles calculations Tohei, T; Kuwabara, A; Yamamoto, T; Oba, F; Tanaka, I (2005) PHYSICAL REVIEW LETTERS, 94(3)
Debye temperature and stiffness of carbon and boron nitride polymorphs from first principles calculations Tohei, T; Kuwabara, A; Oba, F; Tanaka, I (2006-02) PHYSICAL REVIEW B, 73(6)
Prediction of ground-state structures and order-disorder phase transitions in II-III spinel oxides: A combined cluster-expansion method and first-principles study Seko, A; Yuge, K; Oba, F; Kuwabara, A; Tanaka, I (2006-05) PHYSICAL REVIEW B, 73(18)
Ab initio lattice dynamics and phase transformations of ZrO2 Kuwabara, A; Tohei, T; Yamamoto, T; Tanaka, I (2005-02) PHYSICAL REVIEW B, 71(6)
Ordering and segregation of a Cu75Pt25(111) surface: A first-principles cluster expansion study Yuge, K; Seko, A; Kuwabara, A; Oba, F; Tanaka, I (2007-07) PHYSICAL REVIEW B, 76(4)
Cubic and orthorhombic structures off aluminum hydride AlH3 predicted by a first-principles study Ke, XZ; Kuwabara, A; Tanaka, I (2005-05) PHYSICAL REVIEW B, 71(18)
General rule for displacive phase transitions in perovskite compounds revisited by first principles calculations Tohei, T; Kuwabara, A; Yamamoto, T; Oba, F; Tanaka, I (2005-01-28) Physical Review Letters, 94(3)
Cubic and orthorhombic structures off aluminum hydride AlH3 predicted by a first-principles study Ke, XZ; Kuwabara, A; Tanaka, I (2005) PHYSICAL REVIEW B, 71(18)
First principles calculation of defect formation energies in Sr- and Mg-doped LaGaO3 Kuwabara, A; Tanaka, I (2004) JOURNAL OF PHYSICAL CHEMISTRY B, 108(26): 9168-9172