First-Principles Study of Magnetocrystalline Anisotropy and Magnetization in NdFe_{12}, NdFe_{11}Ti, and NdFe_{11}TiNT Miyake, K Terakura, Y Harashima, H Kino, S Ishibashi Journal of the Physical Society of Japan 83 (4), 043702, 2014 | 76 | 2014 |

Nitrogen as the best interstitial dopant among , C, N, O, and F for strong permanent magnet : First-principles study Y Harashima, K Terakura, H Kino, S Ishibashi, T Miyake Physical Review B 92 (18), 184426, 2015 | 39 | 2015 |

First-principles study on stability and magnetism of and N for *M* = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, ZnY Harashima, K Terakura, H Kino, S Ishibashi, T Miyake Journal of Applied Physics 120 (20), 203904, 2016 | 35 | 2016 |

Critical exponent of metal-insulator transition in doped semiconductors: The relevance of the Coulomb interaction Y Harashima, K Slevin Physical Review B 89 (20), 205108, 2014 | 22 | 2014 |

Relevance of 4*f*-3*d* exchange to finite-temperature magnetism of rare-earth permanent magnets: An *ab-initio*-based spin model approach for NdFe_{12}NM Matsumoto, H Akai, Y Harashima, S Doi, T Miyake Journal of Applied Physics 119 (21), 213901, 2016 | 19 | 2016 |

First-principles study of intersite magnetic couplings in NdFe_{12} and NdFe_{12}X (X = B, C, N, O, F)T Fukazawa, H Akai, Y Harashima, T Miyake Journal of Applied Physics 122 (5), 053901, 2017 | 14 | 2017 |

Effect of electron-electron interaction near the metal-insulator transition in doped semiconductors studied within the local density approximation Y Harashima, K Slevin Localisation 2011, 90-95, 2013 | 14 | 2013 |

First-principles approach to new rare-earth-lean permanent magnet compounds Y Harashima, K Terakura, H Kino, S Ishibashi, T Miyake JPS Conf. Proc 5, 011021, 2015 | 13 | 2015 |

Effect of R-site substitution and the pressure on stability of RFe12 : A first-principles study Y Harashima, T Fukazawa, H Kino, T Miyake Journal of Applied Physics 124, 163902, 2018 | 12 | 2018 |

Role of typical elements in Nd2Fe14 X (X = B, C, N, O, F) Y Tatetsu, Y Harashima, T Miyake, Y Gohda Physical Review Materials 2, 074410, 2018 | 12 | 2018 |

Mode Selection Rules for Two-Delay Systems: Dynamical Explanation for the Function of the Register Hole on the Clarinet K Takahashi, K Goya, S Goya Journal of the Physical Society of Japan 83 (12), 124003, 2014 | 11 | 2014 |

Bayesian optimization of chemical composition: A comprehensive framework and its application to -type magnet compounds T Fukazawa, Y Harashima, Z Hou, T Miyake Physical Review Materials 3 (5), 053807, 2019 | 9 | 2019 |

First-principles Study of Intersite Magnetic Couplings and Curie Temperature in RFe_{12−}_{x}Cr_{x} (R = Y, Nd, Sm)T Fukazawa, H Akai, Y Harashima, T Miyake Journal of the Physical Society of Japan 87 (4), 044706, 2018 | 9 | 2018 |

Thermal decomposition of ThMn12-type phase and its optimum stabilizing elements in SmFe12-based alloys I Dirba, Y Harashima, H Sepehri-Amin, T Ohkubo, T Miyake, S Hirosawa, ... Journal of Alloys and Compounds 813, 152224, 2020 | 8 | 2020 |

First-principles study of spin-wave dispersion in Sm (Fe1− xCox) 12 T Fukazawa, H Akai, Y Harashima, T Miyake Journal of Magnetism and Magnetic Materials 469, 296-301, 2019 | 8 | 2019 |

First-Principles Study of Structural and Magnetic Properties of *R*(Fe,Ti)_{12} and *R*(Fe,Ti)_{12}N (*R* = Nd, Sm, Y)Y Harashima, K Terakura, H Kino, S Ishibashi, T Miyake Proceedings of Computational Science Workshop 2014 (CSW2014), 011021, 2015 | 8 | 2015 |

Curie Temperature of Sm_{2}Fe_{17} and Nd_{2}Fe_{14}B: A First-Principles StudyT Fukazawa, H Akai, Y Harashima, T Miyake IEEE Transactions on Magnetics 55 (7), 1-5, 2019 | 3 | 2019 |

Cerium as a possible stabilizer of ThMn12-type iron-based compounds: A first-principles study Y Harashima, T Fukazawa, T Miyake Scripta Materialia 179, 12-15, 2020 | 2 | 2020 |

Screw dislocation that converts p-type GaN to n-type: Microscopic study on the Mg condensation and the leakage current in pn diodes T Nakano, Y Harashima, K Chokawa, K Shiraishi, A Oshiyama, ... arXiv preprint arXiv:2004.06876, 2020 | 1 | 2020 |

Spin-wave dispersion and exchange stiffness in NdFeB and FeTi (=Y, Nd, Sm) from first-principles calculations T Fukazawa, H Akai, Y Harashima, T Miyake arXiv preprint arXiv:2010.16022, 2020 | | 2020 |