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書誌情報	ファイル
First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate Mori, Masahiro; Kumagai, Yu; Matsunaga, Katsuyuki; Tanaka, Isao (2009-04) PHYSICAL REVIEW B, 79(14)
Structural stability and electronic properties of SiC nanocones: First-principles calculations and symmetry considerations Alfieri, G.; Kimoto, T. (2011-03-21) APPLIED PHYSICS LETTERS, 98(12)
First-principles approach to chemical diffusion of lithium atoms in a graphite intercalation compound Toyoura, Kazuaki; Koyama, Yukinori; Kuwabara, Akihide; Oba, Fumiyasu; Tanaka, Isao (2008-12) PHYSICAL REVIEW B, 78(21)
Analytical energy gradient for reference interaction site model self-consistent field explicitly including spatial electron density distribution Yokogawa, Daisuke; Sato, Hirofumi; Sakaki, Shigeyoshi (2009-12-03) The Journal of Chemical Physics, 131(21)
Infrared spectra of the low-dimensional quantum magnet SrCu2(BO3)(2): Measurements and ab initio calculations Homes, C. C.; Dordevic, S. V.; Gozar, A.; Blumberg, G.; Room, T.; Huvonen, D.; Nagel, U.; LaForge, A. D.; Basov, D. N.; Kageyama, H. (2009-03) PHYSICAL REVIEW B, 79(12)
Effects of synthesis conditions on the structural features and methane adsorption properties of single-walled carbon nanohorns prepared by a gas-injected arc-in-water method Sano, Noriaki; Akita, Yoshihiro; Tamon, Hajime (2011) Journal of Applied Physics, 109(12)
Theoretical study of adsorption of lithium atom on carbon nanotube Senami, Masato; Ikeda, Yuji; Fukushima, Akinori; Tachibana, Akitomo (2011) AIP Advances, 1(4)
Ab initio study of ferroelectricity in edged PbTiO3 nanowires under axial tension Shimada, Takahiro; Tomoda, Shogo; Kitamura, Takayuki (2009-01) PHYSICAL REVIEW B, 79(2)
Vacancy-driven ferromagnetism in ferroelectric PbTiO3 Shimada, Takahiro; Uratani, Yoshitaka; Kitamura, Takayuki (2012) Applied Physics Letters, 100(16)
Phase stability of boron carbon nitride in a heterographene structure: A first-principles study Yuge, Koretaka (2009-04) PHYSICAL REVIEW B, 79(14)