46 citations · 78 across the 3 of their papers we have counts for
10 papers
First-principles investigation of Nd(Fe,M)12 (M = K--Br) and Nd(Fe,Cr,Co,Ni,Ge,As)12: Possible enhancers of Curie temperature for NdFe12 magnetic compounds
Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1
We investigate the effects of various dopants (M = K--Br) on the Curie temperature of the magnetic compound NdFe12 through first-principles calculations. Analysis by the Korringa--…
Spin-wave dispersion and exchange stiffness in NdFeB and FeTi (=Y, Nd, Sm) from first-principles calculations
Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1
We theoretically investigate spin-wave dispersion in rare-earth magnet compounds by using first-principles calculations and a method we call the reciprocal-space algorithm (RSA). T…
Data Assimilation Method for Experimental and First-Principles Data: Finite-Temperature Magnetization of (Nd,Pr,La,Ce)(Fe,Co,Ni)B
Yosuke Harashima, Keiichi Tamai, Shotaro Doi +8
We propose a data-assimilation method for evaluating the finite-temperature magnetization of a permanent magnet over a high-dimensional composition space. Based on a general framew…
Screw dislocation that converts p-type GaN to n-type: Microscopic study on the Mg condensation and the leakage current in p-n diodes
Takashi Nakano, Yosuke Harashima, Kenta Chokawa +9
Recent experiments suggest that Mg condensation at threading dislocations induce current leakage, leading to degradation of GaN-based power devices. To study this issue, we perform…
Cerium as a possible stabilizer of ThMn-type iron-based compounds: A first-principles study
Yosuke Harashima, Taro Fukazawa, Takashi Miyake
The structural stability of CeFe is investigated by using first-principles calculation. The formation energies of CeFe relative to the CeFe + bcc-Fe phas…
Bayesian optimization of chemical composition: a comprehensive framework and its application to Fe-type magnet compounds
Taro Fukazawa, Yosuke Harashima, Zhufeng Hou +1
We propose a framework for optimization of the chemical composition of multinary compounds with the aid of machine learning. The scheme is based on first-principles calculation usi…