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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
17252012
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
1388*2016
Variationally optimized atomic orbitals for large-scale electronic structures
T Ozaki
Physical Review B 67 (15), 155108, 2003
13012003
Numerical atomic basis orbitals from H to Kr
T Ozaki, H Kino
Physical Review B 69 (19), 195113, 2004
9592004
Efficient projector expansion for the ab initio LCAO method
T Ozaki, H Kino
Physical Review B 72 (4), 045121, 2005
4772005
Stiffness of single-walled carbon nanotubes under large strain
T Ozaki, Y Iwasa, T Mitani
Physical review letters 84 (8), 1712, 2000
2662000
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 80 (23), 235410, 2009
2252009
Efficient implementation of the nonequilibrium Green function method for electronic transport calculations
T Ozaki, K Nishio, H Kino
Physical Review B 81 (3), 035116, 2010
2192010
Continued fraction representation of the Fermi-Dirac function for large-scale electronic structure calculations
T Ozaki
Physical Review B 75 (3), 035123, 2007
1912007
O (N) LDA+ U electronic structure calculation method based on the nonorthogonal pseudoatomic orbital basis
MJ Han, T Ozaki, J Yu
Physical Review B 73 (4), 045110, 2006
1872006
Anisotropic exchange interactions of spin-orbit-integrated states in Sr 2 IrO 4
H Jin, H Jeong, T Ozaki, J Yu
Physical Review B 80 (7), 075112, 2009
1532009
Dual spin filter effect in a zigzag graphene nanoribbon
T Ozaki, K Nishio, H Weng, H Kino
Physical Review B 81 (7), 075422, 2010
1492010
O (N) Krylov-subspace method for large-scale ab initio electronic structure calculations
T Ozaki
Physical Review B 74 (24), 245101, 2006
1242006
Magnetic ordering and exchange interactions in multiferroic Ga Fe O 3
MJ Han, T Ozaki, J Yu
Physical Review B 75 (6), 060404, 2007
982007
Revisiting magnetic coupling in transition-metal-benzene complexes with maximally localized Wannier functions
H Weng, T Ozaki, K Terakura
Physical Review B 79 (23), 235118, 2009
922009
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
892013
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
872014
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
822006
Electronic structure, magnetic interactions, and the role of ligands in Mn n (n= 4, 12) single-molecule magnets
MJ Han, T Ozaki, J Yu
Physical Review B 70 (18), 184421, 2004
802004
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 73 (23), 235323, 2006
772006
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