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Taisuke Ozaki
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Experimental evidence for epitaxial silicene on diboride thin films
A Fleurence, R Friedlein, T Ozaki, H Kawai, Y Wang, ...
Physical review letters 108 (24), 245501, 2012
17672012
Variationally optimized atomic orbitals for large-scale electronic structures
T Ozaki
Physical Review B 67 (15), 155108, 2003
14212003
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
13622016
Numerical atomic basis orbitals from H to Kr
T Ozaki, H Kino
Physical Review B 69 (19), 195113, 2004
11132004
Efficient projector expansion for the ab initio LCAO method
T Ozaki, H Kino
Physical Review B—Condensed Matter and Materials Physics 72 (4), 045121, 2005
5132005
Stiffness of single-walled carbon nanotubes under large strain
T Ozaki, Y Iwasa, T Mitani
Physical review letters 84 (8), 1712, 2000
2672000
Efficient implementation of the nonequilibrium Green function method for electronic transport calculations
T Ozaki, K Nishio, H Kino
Physical Review B—Condensed Matter and Materials Physics 81 (3), 035116, 2010
2582010
First-principles calculation of the electronic properties of graphene clusters doped with nitrogen and boron: analysis of catalytic activity for the oxygen reduction reaction
SF Huang, K Terakura, T Ozaki, T Ikeda, M Boero, M Oshima, J Ozaki, ...
Physical Review B—Condensed Matter and Materials Physics 80 (23), 235410, 2009
2282009
Continued fraction representation of the Fermi-Dirac function for large-scale electronic structure calculations
T Ozaki
Physical Review B—Condensed Matter and Materials Physics 75 (3), 035123, 2007
2002007
electronic structure calculation method based on the nonorthogonal pseudoatomic orbital basis
MJ Han, T Ozaki, J Yu
Physical Review B—Condensed Matter and Materials Physics 73 (4), 045110, 2006
2002006
Anisotropic exchange interactions of spin-orbit-integrated states in
H Jin, H Jeong, T Ozaki, J Yu
Physical Review B—Condensed Matter and Materials Physics 80 (7), 075112, 2009
1562009
Dual spin filter effect in a zigzag graphene nanoribbon
T Ozaki, K Nishio, H Weng, H Kino
Physical Review B—Condensed Matter and Materials Physics 81 (7), 075422, 2010
1532010
Krylov-subspace method for large-scale ab initio electronic structure calculations
T Ozaki
Physical Review B—Condensed Matter and Materials Physics 74 (24), 245101, 2006
1252006
Magnetic ordering and exchange interactions in multiferroic
MJ Han, T Ozaki, J Yu
Physical Review B—Condensed Matter and Materials Physics 75 (6), 060404, 2007
1032007
Unfolding method for first-principles LCAO electronic structure calculations
CC Lee, Y Yamada-Takamura, T Ozaki
Journal of Physics: Condensed Matter 25 (34), 345501, 2013
972013
Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functions
H Weng, T Ozaki, K Terakura
Physical Review B—Condensed Matter and Materials Physics 79 (23), 235118, 2009
952009
Systematic study of electronic and magnetic properties for Cu12–xTMxSb4S13 (TM= Mn, Fe, Co, Ni, and Zn) tetrahedrite
K Suekuni, Y Tomizawa, T Ozaki, M Koyano
Journal of Applied Physics 115 (14), 2014
932014
Electronic structure, magnetic interactions, and the role of ligands in single-molecule magnets
MJ Han, T Ozaki, J Yu
Physical Review B—Condensed Matter and Materials Physics 70 (18), 184421, 2004
902004
Electronic structures of Pt clusters adsorbed on (5, 5) single wall carbon nanotube
DH Chi, NT Cuong, NA Tuan, YT Kim, HT Bao, T Mitani, T Ozaki, H Nagao
Chemical Physics Letters 432 (1-3), 213-217, 2006
862006
Contact-structure dependence of transport properties of a single organic molecule between Au electrodes
H Kondo, H Kino, J Nara, T Ozaki, T Ohno
Physical Review B—Condensed Matter and Materials Physics 73 (23), 235323, 2006
792006
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