Theory of ferromagnetic semiconductors H Katayama‐Yoshida, K Sato, T Fukushima, M Toyoda, H Kizaki, VA Dinh, ...
physica status solidi (a) 204 (1), 15-32, 2007
244 2007 Electronic structures of (Zn, TM) O (TM: V, Cr, Mn, Fe, Co, and Ni) in the self-interaction-corrected calculations M Toyoda, H Akai, K Sato, H Katayama-Yoshida
Physica B: Condensed Matter 376, 647-650, 2006
194 2006 Computational nano-materials design for high-TC ferromagnetism in wide-gap magnetic semiconductors H Katayama-Yoshida, K Sato, T Fukushima, M Toyoda, H Kizaki, VA Dinh, ...
Journal of Magnetism and Magnetic Materials 310 (2), 2070-2077, 2007
84 2007 Exchange Interaction and T c in Alkaline-Earth-Metal-Oxide-Based DMS without Magnetic Impurities: First Principle Pseudo-SIC and Monte Carlo Calculation V An Dinh, M Toyoda, K Sato, H Katayama-Yoshida
Journal of the Physical Society of Japan 75 (9), 093705, 2006
65 2006 Curie temperature of GaMnN and GaMnAs from LDA‐SIC electronic structure calculations M Toyoda, H Akai, K Sato, H Katayama‐Yoshida
physica status solidi (c) 3 (12), 4155-4159, 2006
50 2006 Ab initio study of magnetic coupling in CaCuM Toyoda, K Yamauchi, T Oguchi
Physical Review B—Condensed Matter and Materials Physics 87 (22), 224430, 2013
44 2013 Ab initio study on magnetic coupling in A-site-ordered perovskite CaCu3B4O12 (B= Ti, Ge, Zr, and Sn) M Toyoda, K Yamauchi, T Oguchi
APS Meeting Abstracts 1, 17014, 2013
44 * 2013 Ab initio materials design for transparent-conducting-oxide-based new-functional materials H Katayama-Yoshida, K Sato, H Kizaki, H Funashima, I Hamada, ...
Applied Physics A 89, 19-27, 2007
40 2007 Fast spherical Bessel transform via fast Fourier transform and recurrence formula M Toyoda, T Ozaki
Computer Physics Communications 181 (2), 277-282, 2010
23 2010 Ab initio study of electronic, magnetic, and spectroscopic properties in A-and B-site-ordered perovskite Ca Cu 3 Fe 2 Sb 2 O 12 H Fujii, M Toyoda, H Momida, M Mizumaki, S Kimura, T Oguchi
Physical Review B 90 (1), 014430, 2014
19 2014 Accurate finite element method for atomic calculations based on density functional theory and Hartree–Fock method T Ozaki, M Toyoda
Computer Physics Communications 182 (6), 1245-1252, 2011
17 2011 Ferromagnetic Half Metallicity in Doped Chalcopyrite Semiconductors Cu (Al1− xAx) Se2 (A= 3 d Transition-Metal Atoms) M Shahjahan, M Toyoda, T Oguchi
Journal of the Physical Society of Japan 83 (9), 094702, 2014
16 2014 First-principles study on electronic structure and spin state of rutile (Ti, Co) O2 by self-interaction-corrected local density approximation: role of oxygen vacancy H Kizaki, M Toyoda, K Sato, H Katayama-Yoshida
Applied Physics Express 2 (5), 053004, 2009
16 2009 Numerical evaluation of electron repulsion integrals for pseudoatomic orbitals and their derivatives M Toyoda, T Ozaki
The Journal of chemical physics 130 (12), 124114, 2009
16 2009 Superexchange interaction in the A-site ordered perovskite YMn 3 Al 4 O 12 M Toyoda, T Saito, K Yamauchi, Y Shimakawa, T Oguchi
Physical Review B 92 (1), 014420, 2015
15 2015 Symmetry-breaking 60°-spin order in the A-site-ordered perovskite LaM n 3 V 4 O 12 T Saito, M Toyoda, C Ritter, S Zhang, T Oguchi, JP Attfield, Y Shimakawa
Physical Review B 90 (21), 214405, 2014
14 2014 Electronic structure and phase transition in polar ScFeO3 from first principles calculations BG Kim, M Toyoda, J Park, T Oguchi
Journal of Alloys and Compounds 713, 187-193, 2017
12 2017 First-principles material design and perspective on semiconductor spintronics materials K Sato, T Fukushima, M Toyoda, H Kizaki, VA Dinh, H Fujii, L Bergqvist, ...
Physica B: Condensed Matter 404 (23), 5237-5243, 2009
12 2009 User’s manual of OpenMX Ver. 3.7 T Ozaki, H Kino, JY SNU, MJ Han, M Ohfuchi, F Ishii, K Sawada, Y Kubota, ...
8 2013 Pseudo‐SIC study on the ferromagnetism induced by carbon in AO‐based DMS (A= Mg, Ca, Ba, Sr) VA Dinh, M Toyoda, K Sato, H Katayama‐Yoshida
physica status solidi (c) 3 (12), 4131-4134, 2006
8 2006 
Taisuke OzakiProfessor, ISSP, University of TokyoПотвърден имейл адрес: issp.u-tokyo.ac.jp