Papers - MATSUNAGA Katsuyuki
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First-principles calculations of Zn-K XANES in Ca-deficient hydroxyapatite
H. Murata, K. Shitara, I. Tanaka, A. Nakahira, T. Mizoguchi, K. Matsunaga
J. Phys.: Condens. Matter Vol. 22 page： 384213 2010
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Theoretical calculations of thermodynamic stability of ionic substitutions in hydroxyapatite under aqueous solution environment
K. Matsunaga, H. Murata, K. Shitara
J. Phys.: Condens. Matter Vol. 22 page： 384210 2010
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First-principles investigation of atomic structures and stability of proton-exchanged layered sodium titanate
M. Mori, Y. Kumagai, K. Matsunaga, I. Tanaka
Phys. Rev. B Vol. 79 page： 144117 2009
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First principles calculations of advanced nitrides, oxides and alloys
I. Tanaka, A. Kuwabara, K. Yuge, A. Seko, F. Oba, and K. Matsunaga
Key Eng. Mater. Vol. 403 page： 73 2009
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27Al NMR chemical shifts in oxide crystals : A first-principles study
M. Choi, K. Matsunaga, F. Oba, I. Tanaka
J. Phys. Chem. C Vol. 113 page： 3869 2009
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第一原理熱力学によるナノ機能元素の理論計算
田中功、世古敦人、弓削是貴、小山幸典、大場史康、松永克志
まてりあ Vol. 48 page： 299 2009
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第一原理計算に基づくセラミックスのナノ構造解析と設計指針：酸化スズを例に
田中功、世古敦人、東後篤史、大場史康、松永克志
セラミックス Vol. 44 page： 679 2009
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金属イオン添加リン酸カルシウムの合成と微細構造
中平敦、松永克志
マテリアルインテグレーション Vol. 22 page： 65 2009
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Sr substitution in bioactive calcium phosphates: A first-principles study
K. Matsunaga, H. Murata
J. Phys. Chem. B Vol. 113 page： 3584 2009
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Formation energies of substitutional sodium and potassium in hydroxyapatite
K. Matsunaga, H. Murata
Vol. 50 page： 1041 2009
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Interface structures of gold nanoparticles on TiO2 (110)
N. Shibata, A. Goto, K. Matsunaga, T. Mizoguchi, T. Yamamoto, Y. Ikuhara
Phys. Rev. Lett. Vol. 102 page： 136105 2009
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First-principles study of ion exchange with foreign cations in hydroxyapatite
K. Matsunaga
AMTC lett. Vol. 1 page： 184 2008
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STEM imaging of Au nanoparticles on TiO2 surface
N. Shibata, A. Goto, K. Matsunaga, T. Mizoguchi, S.D. Findlay, T. Yamamoto, Y. Ikuhara
AMTC lett. Vol. 1 page： 14 2008
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First principles calculation of CO and H2 adsorption on strained Pt surface
A. Kuwabara, Y. Saitoh, Y. Koyama, F. Oba, K. Matsunaga, I. Tanaka
Mater. Trans. Vol. 49 page： 2484 2008
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Theoretical trend of ion exchange ability with divalent cations in hydroxyapatite
K. Matsunaga, H. Inamori, and H. Murata
Phys. Rev. B Vol. 78 page： 094101 2008
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Lattice dynamics and thermodynamical properties of silicon nitride polymorphs
A. Kuwabara, K. Matsunaga, I. Tanaka
Phys. Rev. B Vol. 78 page： 064104 2008
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First-principles investigation of R2O3(ZnO)3 (R=Al, Ga, and In) in homologous series of compounds
S. Yoshioka, K. Toyoura, F. Oba, A. Kuwabara, K. Matsunaga, I. Tanaka
J. Sol. Stat. Chem. Vol. 181 page： 137 2008
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Effects of crystal structure on Co-L2,3 x-ray absorption near edge structure and electron-energy-loss near-edge structure of trivalent cobalt oxides
Y. Kumagai, H. Ikeno, F. Oba, K. Matsunaga, I. Tanaka
Phys. Rev. B Vol. 77 page： 155124 2008
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Theoretical investigation of the defect formation mechanism relevant to nonstoichiometry in hydroxyapatite
K. Matsunaga
Phys. Rev. B Vol. 77 page： 104106 2008
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First-principles study of substitutional magnesium and zinc in hydroxyapatite and octacalcium phosphate
K. Matsunaga
J. Chem. Phys. Vol. 128 page： 245101 2008