T. Fukazawa

activity

20162025

R

-site substitution and the pressure on stability of

R

_{12}

: A first-principles study

65 citations · 266 across the 16 of their papers we have counts for

collaborators

16 papers

cond-mat.mtrl-sci2025

Impact of Lattice Distortions on Magnetocrystalline Anisotropy and Magnetization in (Nd $_{1 - x}$ Pr $_{x}$ ) $_{2}$ Fe $_{14}$ B Alloys

Haruki Okumura, Takashi Miyake, Taro Fukazawa +6

Nd $_{2}$ Fe $_{14}$ B -- a widely used permanent magnet -- has magnetocrystalline anisotropy constants that differ between the bulk and interface regions. This study explores the effe…

cond-mat.mtrl-sci2025

Efficient method for magnetic structure exploration based on first-principles calculations: application to MnO and hexagonal ferrites SrFe $_{12}$ O $_{19}$

Taro Fukazawa, Haruki Okumura, Tetsuya Fukushima +2

We propose an approach for exploring magnetic structures by using Liechtenstein's method for exchange couplings from the results of first-principles calculations. Our method enable…

cond-mat.mtrl-sci2022★ 2 cited

Pareto front analysis and multi-objective Bayesian optimization for (R, Z)(Fe,Co,Ti)12 (R = Y, Nd, Sm; Z = Zr, Dy)

Taro Fukazawa, Takashi Miyake

We propose a scheme for investigating the correlation and trade-off among target variables using a multi-objective Bayesian optimization (MBO). We discuss the features of the Paret…

cond-mat.mtrl-sci2021★ 4 cited

First-principles study on the stability of ( $R$ , Zr)(Fe, Co, Ti) $_{12}$ against 2-17 and unary phases ( $R$ = Y, Nd, Sm)

Taro Fukazawa, Yosuke Harashima, Takashi Miyake

The stability of ( $R$ , Zr)(Fe, Co, Ti) $_{12}$ with a ThMn $_{12}$ structure is investigated using first-principles calculations. We consider energetic competition with multiple phas…

cond-mat.mtrl-sci2021

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--…

cond-mat.mtrl-sci2021★ 6 cited

Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system

Takahiro Ishikawa, Taro Fukazawa, Guangzong Xing +2

Modern high-performance permanent magnets are made from alloys of rare earth and transition metal elements, and large magnetization is achieved in the alloys with high concentratio…

cond-mat.mtrl-sci2020★ 7 cited

Spin-wave dispersion and exchange stiffness in Nd $_{2}$ Fe $_{14}$ B and $R$ Fe $_{11}$ Ti ( $R$ =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…

cond-mat.mtrl-sci2020★ 6 cited

Monoclinic YFe $_{12}$ phases predicted from first principles

Takahiro Ishikawa, Taro Fukazawa, Takashi Miyake

We searched for stable crystal structures of YFe $_{12}$ using a crystal structure prediction technique based on a genetic algorithm and first-principles calculations. We obtained t…

cond-mat.mtrl-sci2019★ 24 cited

Cerium as a possible stabilizer of ThMn $_{12}$ -type iron-based compounds: A first-principles study

Yosuke Harashima, Taro Fukazawa, Takashi Miyake

The structural stability of CeFe $_{12}$ is investigated by using first-principles calculation. The formation energies of CeFe $_{12}$ relative to the Ce $_{2}$ Fe $_{17}$ + bcc-Fe phas…

cond-mat.mtrl-sci2019★ 46 cited

Bayesian optimization of chemical composition: a comprehensive framework and its application to $R$ Fe $_{12}$ -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…

cond-mat.mtrl-sci2018★ 14 cited

Curie temperature of Sm $_{2}$ Fe $_{17}$ and Nd $_{2}$ Fe $_{14}$ B: a first-principles study

Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1

We calculate intersite magnetic couplings for Sm $_{2}$ Fe $_{17}$ , Nd $_{2}$ Fe $_{14}$ and Nd $_{2}$ Fe $_{14}$ X (X = B, C, N, O, F) using Liechtenstein's formula on the basis of first-principl…

cond-mat.mtrl-sci2018★ 65 cited

Effect of $R$ -site substitution and the pressure on stability of $R$ Fe $_{12}$ : A first-principles study

Yosuke Harashima, Taro Fukazawa, Hiori Kino +1

We theoretically study the structural stability of $R$ Fe $_{12}$ with the ThMn $_{12}$ structure ( $R$ : rare-earth elements, La, Pr, Nd, Sm, Gd, Dy, Ho, Er, Tm, Lu, Y, or Sc, or group…

cond-mat.mtrl-sci2018★ 29 cited

First-principles study of spin-wave dispersion in Sm(Fe $_{1 - x}$ Co $_{x}$ ) $_{12}$

Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1

We present spin-wave dispersion in Sm(Fe $_{1 - x}$ Co $_{x}$ ) $_{12}$ calculated based on first-principles. Anisotropy in the lowest branch of the spin-wave dispersion around the $Γ$ poin…

cond-mat.mtrl-sci2017★ 27 cited

First-principles study of inter-site magnetic couplings and Curie temperature in RFe $_{12 - x}$ Cr $_{x}$ (R = Y, Nd, Sm)

Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1

We present a first-principles study of RFe $_{12 - x}$ Cr $_{x}$ (R = Y, Nd, Sm) crystals with ThMn $_{12}$ structure. We discuss, within the mean field approximation, intersite magnetic…

cond-mat.mtrl-sci2016★ 7 cited

Optimized effective potential method and application to static RPA correlation

Taro Fukazawa, Hisazumi Akai

The optimized effective potential (OEP) method is a promising technique for calculating the ground state properties of a system within the density functional theory. However, it is…

cond-mat.mtrl-sci2016★ 29 cited

First-principles study of intersite magnetic couplings in NdFe $_{12}$ and NdFe $_{12}$ X (X = B, C, N, O, F)

Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1

We present a first-principles investigation of NdFe $_{12}$ and NdFe $_{12}$ X (X = B, C, N, O, F) crystals with the ThMn $_{12}$ structure. Intersite magnetic couplings in these compo…

Impact of Lattice Distortions on Magnetocrystalline Anisotropy and Magnetization in (Nd1−x​Prx​)2​Fe14​B Alloys

Efficient method for magnetic structure exploration based on first-principles calculations: application to MnO and hexagonal ferrites SrFe12​O19​

Pareto front analysis and multi-objective Bayesian optimization for (R, Z)(Fe,Co,Ti)12 (R = Y, Nd, Sm; Z = Zr, Dy)

First-principles study on the stability of (R, Zr)(Fe, Co, Ti)12​ against 2-17 and unary phases (R = Y, Nd, Sm)

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

Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system

Spin-wave dispersion and exchange stiffness in Nd2​Fe14​B and RFe11​Ti (R=Y, Nd, Sm) from first-principles calculations

Monoclinic YFe12​ phases predicted from first principles

Cerium as a possible stabilizer of ThMn12​-type iron-based compounds: A first-principles study

Bayesian optimization of chemical composition: a comprehensive framework and its application to RFe12​-type magnet compounds

Curie temperature of Sm2​Fe17​ and Nd2​Fe14​B: a first-principles study

Effect of R-site substitution and the pressure on stability of RFe12​: A first-principles study

First-principles study of spin-wave dispersion in Sm(Fe1−x​Cox​)12​

First-principles study of inter-site magnetic couplings and Curie temperature in RFe12−x​Crx​ (R = Y, Nd, Sm)

Optimized effective potential method and application to static RPA correlation

First-principles study of intersite magnetic couplings in NdFe12​ and NdFe12​X (X = B, C, N, O, F)

Impact of Lattice Distortions on Magnetocrystalline Anisotropy and Magnetization in (Nd $_{1 - x}$ Pr $_{x}$ ) $_{2}$ Fe $_{14}$ B Alloys

Efficient method for magnetic structure exploration based on first-principles calculations: application to MnO and hexagonal ferrites SrFe $_{12}$ O $_{19}$

First-principles study on the stability of ( $R$ , Zr)(Fe, Co, Ti) $_{12}$ against 2-17 and unary phases ( $R$ = Y, Nd, Sm)

Spin-wave dispersion and exchange stiffness in Nd $_{2}$ Fe $_{14}$ B and $R$ Fe $_{11}$ Ti ( $R$ =Y, Nd, Sm) from first-principles calculations

Monoclinic YFe $_{12}$ phases predicted from first principles

Cerium as a possible stabilizer of ThMn $_{12}$ -type iron-based compounds: A first-principles study

Bayesian optimization of chemical composition: a comprehensive framework and its application to $R$ Fe $_{12}$ -type magnet compounds

Curie temperature of Sm $_{2}$ Fe $_{17}$ and Nd $_{2}$ Fe $_{14}$ B: a first-principles study

Effect of $R$ -site substitution and the pressure on stability of $R$ Fe $_{12}$ : A first-principles study

First-principles study of spin-wave dispersion in Sm(Fe $_{1 - x}$ Co $_{x}$ ) $_{12}$

First-principles study of inter-site magnetic couplings and Curie temperature in RFe $_{12 - x}$ Cr $_{x}$ (R = Y, Nd, Sm)

First-principles study of intersite magnetic couplings in NdFe $_{12}$ and NdFe $_{12}$ X (X = B, C, N, O, F)