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Recent Publications

N.Fukumuro, Y.Fukai, H.Sugimoto, Y. Ishii , H.Saitoh, S.Yae: "Superstoichiometric hydride PdHx formed by electrochemicalsynthesis: Dissolution as molecular H2 proposed", J. Alloys Compounds 825 153830 (2020).
K.Nozawa and Y. Ishii: "First-principles Electronic Structure Calculation for Catalyst Design", Acc. Mater. Surf. Res. 4 18-29 (2019).
A.P.Tsai, S.Kameoka, K.Nozawa, M.Shimoda and Y. Ishii: "Intermetallic: A Pseudoelement for Catalysis", Acc. Chem. Res. 50 2879 (2017).
K.Nozawa and Y. Ishii: "Adsorption structure of Bi on the vefold surface of i-Ag-In-Yb quasicrystal", J. Phys. Conf. Series, 809 012018 (2017).
K.Fujiwara, Y.Miyawaki, K.Nozawa and Y.Ishii: "Adsorption Structure and Electronic Structure of Ethylene on Pt$_3$Ti (001) and PtTi$_3$ (001) Surfaces: a DFT Study", Mat. Trans. 56, 479 (2015).
H.R.Sharma, K.Nozawa, J.A.Smerdon, P.J.Nugent, I.McLeod, V.R. Dhanak, M.Shimoda, Y.Ishii, A.-P.Tsai and R. McGrath: "Templated three-dimensional growth of quasicrystalline lead", Nat. Commun. 4:2715 doi: 10.1038/ncomms3715 (2013).
A.-P.Tsai, F.Kimura, Y.Suzuki, S.Kameoka, M.Shimoda and Y.Ishii : "Effect of electronic structures on catalytic properties Of CuNi alloy and Pd in MeOH-related reactions" J. Chem. Phys. 138 144701 (2013).
A.Chatzopoulos, H.-R.Trebin and Y.Ishii : "Hydrodynamic structure factor for two-dimensional decagonal quasicrystals", Phys. Status Solidi B 250, 291 (2013).
K.Nozawa, N. Endo, S. Kameoka, A.P. Tsai and Y.Ishii : "Catalytic properties dominated by electronic structures in PdZn, NiZn and PtZn intermetallic compounds", J. Phys. Soc. Jpn. 80 064801 (2011).
K.Nozawa and Y.Ishii : "Theoretical studies on clean and adsorbed surfaces of Ag-In-Yb", Philos. Mag. 91 2913 (2011) (http://dx.doi.org/10.1080/14786435.2010.505182).
Y.Ishii, Z.Dankhazi and Esther Belin-Ferre : "Electronic structure of Mg-Zn-based compounds", Philos. Mag. 91 1643 (2011).
K.Nozawa, Y.Ishii and K.Makoshi : "First-principles study for effect of lattice defects on the crystal structure of Zn-Sc cubic crystalline approximants", J. Phys. Conference Series 226 012031 (2010).
K.Nozawa and Y.Ishii : "Electronic Structures and Stability of Ag-In-Ca Surfaces", J. Phys. Conference Series 226, 012030 (2010).
K.Nozawa and Y.Ishii : "Structure induced covalent bonding in Al-Li compounds", Phys. Rev. Lett. 104 226406 (2010).
H. R. Sharma, G. Simutis, V. R. Dhanak, P. J. Nugent, C. Cui, M. Shimoda, R. McGrath, A. P. Tsai and Y.Ishii : "Valence band structure of the icosahedral Ag-In-Yb quasicrystal", Phys. Rev. B 81 104205 (2010).
H.Sakoda and Y.Ishii : "Dynamical Mean Field Theory for d Electrons on Cubic Lattices with Realistic Electron Hopping and Interaction", J. Phys. Soc. Jpn. 79, 014701 (2010).
T. Hatakeyama, K. Nozawa and Y. Ishii : "Ab initio Studies on Orientational Ordering in Cubic Zn-Sc", Z. Krystallogr. 223, 830 (2008).
K. Watanabe and Y. Ishii : "Electronic Structures of Al-based Transition Metal Compounds and Effective Valence of Transition Elements", Z. Krystallogr. 223, 739 (2008).
K.Nozawa and Y.Ishii : "First-principles Studies for Structural Transitions in ordered phase of Cubic Approximant Cd6Ca", J. Phys. Condens. Matter 20 315206 (2008).
S. Hiramatsu and Y. Ishii : "Dynamic Properties of Al-Ni-Co Decagonal Quasicrystals modelled by ab-initio interatomic pair potentials", J. Phys. Soc. Jpn. 76 034601 (2007)
S. Hiramatsu and Y. Ishii : "Theoretical Prediction of Phase Diagrams for Al-Co-Ni Decagonal quasicrystals" J. Phys. Soc. Jpn. 75 54602 (2006)
K. Nozawa and Y. Ishii : "First-Principles studies on Orientational Ordering of Atomic Clusters in Cd_6Ca" Philos. Mag. 86, 615 (2006)
Y. Ishii, K. Nozawa and T. Fujiwara : "Non-icosahedral ordering of transition elements in Zn-TM-Sc quasicrystals" Philos. Mag. 86, 693 (2006)
A.-P. Tsai, S. Kameoka and Y. Ishii : "PdZn=Cu: Can an Intermetallic Replace an Element?" J. Phys. Soc. Jpn. 73, 3270 (2004)
Y.Ishii, K. Nozawa and T. Fujiwara : "Chemical Bonding ans Pseudogap in Zn- and Cd-based Compounds with Complex Hexagonal Structures", Mat. Res. Soc. Symp. Proc. 805, 129 (2004)
K. Nozawa and Y. Ishii : "First-Principles Structural Optimization of Cubic Approximant Cd6Ca" Mat. Res. Soc. Symp. Proc. 805, 47 (2004)
Y. Ishii and T. Fujiwara : "Ab initio Studies on Chemical Bonding in Cd- and Zn-based Quasicrystals", J. Non-cryst. Solids 334-335C, 336 (2003)
T. Fujiwara, S.Yamamoto and Y. Ishii : "Generalization of the Iterative Perturbation Theory and Metal-Insulator Transition in Multi-Orbial Hubbard Model", J. Phys. Soc. Jpn. 72, 777 (2003)
Y. Arai and Y. Ishii : "Transport Properties of Three-Dimensional Penrose Lattice", J. Alloys Compounds 342, 374 (2002)
K. Oshio and Y. Ishii : "Electronic Structures of Large Approximants of Zn-Mg-Y", J. Alloys Compounds 342, 404 (2002)
K. Hiraga, K. Sugiyama and Y. Ishii : "Atom Cluster Arrangement in a 2/1 Cubic Approximant in Al-Zn-Mg Alloy System", Philos. Mag. Lett. 82, 341 (2002)
Y. Ishii and T. Fujiwara : "Cohesion Mechanism for Cohesion of Cd-based Quasicrystals", Phys. Rev. Lett. 87, 206408 (2001)
M. Jono, Y. Matsuo and Y.Ishii : "X-ray Diffraction Study if a Phason Strain in an Al-Cu-Fe icosahedral quasicrystal", Philos. Mag. A 81, 2577-2590 (2001).
Y. Matsuo, Y.Nishimura, K.Yamamoto and Y.Ishii : "Relationship between Phason Strain and Approximant Crystal Structure in Co-rich Al-Ni-Co Decagonal Phase", Mater, Trans. JIM, 42, 2008-2012 (2001).
M. Jono, Y. Matsuo and Y. Ishii : "A Phason Strain in an Al-Cu-Fe Icosahedral Quasicrystal", Mater. Sci. Eng. A, 294-296, 680-684 (2000).
H. Abe, N. Tamura, D. Le Bolloc'h, S. C. Moss, Y. Matsuo, Y.Ishii and J. Bai : "Anomalous-X-ray Scattering Associated with Short-Range Order in an Al-Ni-Co Decagonal Quasicrystal", Mater. Sci. Eng. A, 294-296, 299-302 (2000).
Y. Ishii : "Anisotropic Phasonic Diffuse Scattering from Decagonal Quasicrystals", Mater. Sci. Eng. A, 294-296, 377-380 (2000).
Y. Ishii and T. Takanaga : "Atomic and Electronic Structures and Dynamics in Liquid Alloys near Eutectic Point", J. Phys. Soc. Jpn., 69 3334-3341 (2000).
N.Watari, S.Ohnishi and Y. Ishii : "Hydrogen Storage in Pd Clusters", J. Phys. Condensed Matter, 12 6799-6823 (2000).
T.Fujiwara, M.Arai and Y. Ishii : "LSDA and Self-Interaction Correction", Strong Coulomb Correlations and Electronic Structure Calculations: Beyond Local Density Approximation, edited by V.I.Anisimov (Gordon & Breach, 2000) pp.167-201.
Y. Ishii : "Spatial and Magnetic Ordering in Dipolar Fluid Film", J. Phys. Soc. Jpn. 67 3050-3054 (1998).
Y. Ishii : "Superlattice Ordering by Displacive Modulation in Quasicrystals", Aperiodic'97, edited by M. de Boissieu, J-L Verger-Gaugry and R.Currat, (World Scientific, 1998), pp.557-561.
Y. Matsuo, K. Yamamoto and Y. Ishii : "Investigation of Phason Strains in Decagonal Al-Pd-Mn Single Quasicrystals by means of X-ray Diffraction", J. Phys. Condensed Matter 10 983-994 (1998).
Y. Ishii : "Low-Energy Phason Dynamics in Quasicrystals", Proc. of the 6th Internatinal Conference on Quasicrystals, edited by S.Takeuchi and T.Fujiwara (World Scientific, 1998), pp.459-462.

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