Papers - MATSUNAGA Katsuyuki
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First-principles calculations on slip system activation in the rock salt structure: Electronic origin of ductility in silver chloride Reviewed Open Access
A. Nakamura, M. Ukita, N. Shimoda, Y. Furushima, K. Toyoura, K. Matsunaga
Philo. Mag. Vol. 97 page： 1281-1310 2017
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Nonstoichiometric [012] dislocation in strontium titanate Reviewed
Y. Furushima, Y. Arakawa, A. Nakamura, E. Tochigi, and K. Matsunaga
Acta Mater. Vol. 135 page： 103-111 2017
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Another origin of yield drop behavior in sapphire deformed via basal slip: Recombination of climb-dissociated partial dislocations Reviewed
A. Nakamura, K. Matsunaga, E. Tochigi, N. Shibata, Y. Ikuhara, and K.P.D. Lagerlöf
Scripta Mater. Vol. 138 page： 109-113 2017
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Ionic conduction mechanisms of apatite-type lanthanum silicate and germanate from first principles Invited Reviewed International journal Open Access
Matsunaga, K
JOURNAL OF THE CERAMIC SOCIETY OF JAPAN Vol. 125 ( 9 ) page： 670 - 676 2017
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Adsorption sites of single noble metal atoms on the rutile TiO2(110) surface influenced by different surface oxygen vacancies Reviewed
K. Matsunaga, T.Y. Chang, R. Ishikawa, Q. Dong, K. Toyoura, A. Nakamura, Y. Ikuhara, and N. Shibata
J. Phys. Condens. Matter Vol. 28 page： 175002(8 pages) 2016
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Pressure-induced phase transition of calcite and aragonite: A first principles study Reviewed
M. Ukita, K. Toyoura, A. Nakamura, K. Matsunaga
J. Appl. Phys. Vol. 120 page： 142118(8 pages) 2016
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Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO3 Reviewed Open Access
Y. Furushima, A. Nakamura, Eta Tochigi, Y. Ikuhara, K. Toyoura, K. Matsunaga
J. Appl. Phys. Vol. 120 page： 1421007(10 pages) 2016
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第一原理計算に基づいたアパタイト型酸素イオン伝導体の酸素イオン伝導機構解析
松永克志
セラミックデータベース Vol. 44 page： 67-70 2016
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First-principles analysis of proton conduction mechanism in pyrochlore-structured lanthanum zirconate Reviewed
K. Toyoura, A. Nakamura, and K. Matsunaga
J. Phys. Chem. C Vol. 118 page： 064103 2015
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Hydroxide-ion incorporation and conduction mechanisms in tin pyrophosphate, A first-principles study Reviewed
J. Terasaka, K. Toyoura, A. Nakamura, and K. Matsunaga
J. Mater. Chem. A Vol. 3 page： 11905-11911 2015
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リン酸カルシウムのナノ構造と機能ー第一原理計算からのアプローチー Invited Reviewed
松永克志、豊浦和明、中村篤智
Phosphorus Letter ( 83 ) page： 26-34 2015
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First-principles calculations of divalent substitution of Ca2+ in tricalcium phosphates Reviewed
K. Matsunaga, T. Kubota, K. Toyoura, and A. Nakamura
Acta Biomater. Vol. 23 page： 329-337 2015
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Ab initio simulation of elastic and mechanical properties of Zn- and Mg-doped Hydroxyapatite Reviewed
S. Aryal, K. Matsunaga, W.Y. Ching
J. Mech. Behav. Biomed. Mater. Vol. 47 page： 135-146 2015
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First-principles study on phase transition and ferroelectricity in pseudo-Ilmenite lithium niobate and tantalate Reviewed
K. Toyoura, M. Ohta, A. Nakamura, and K. Matsunaga
J. Appl. Phys. Vol. 118 page： 064103 2015
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Strong Correlation in one-dimensional oxygen ion conduction of apatite-type lanthanum silicate Reviewed
K. Imaizumi, K. Toyoura, A. Nakamura, K. Matsunaga
J. Phys. Condens. Matt. Vol. 27 page： 365601 2015
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First-principles analysis on proton diffusivity in La3NbO7 Reviewed
K. Kato, K. Toyoura, A. Nakamura, and K. Matsunaga
Solid State Ionics Vol. 262 page： 472-475 2014
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Boundary dislocations at a low angle grain boundary including twist component in LiNbO3 Reviewed
A. Nakamura, Y. Furushima, E. Tochigi, Y. Ikuhara, K. Toyoura, and K. Matsunaga
AMTC Lett. Vol. 4 page： 20-21 2014
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Proton incorporation and migration in monazite-structured oxides Reviewed
K. Toyoura, A. Nakamura, and K. Matsunaga
AMTC Lett. Vol. 4 page： 104-105 2014
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A theoretical study of temperature dependence of vacancy formation at grain boundaries in non-doped a-alumina Reviewed
T. Ogawa, A. Kuwabara, C.A.J. Fisher, H. Moriwake, T. Matsudaira, K. Matsunaga, and S. Kitaoka
AMTC Lett. Vol. 4 page： 106-107 2014
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First-principles studies of energetics of slip deformation in NaCl and AgCl Reviewed
N. Shimoda, Y. Furushima, K. Toyoura, A. Nakamura, and K. Matsunaga
AMTC Lett. Vol. 4 page： 128-129 2014