Publications (43)
Role of typical elements in Nd$_{2}$Fe$_{14}$$X$ ($X$ = B, C, N, O, F)
Yasutomi Tatetsu, Yosuke Harashima, Takashi Miyake +1
Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency
Takashi Miyake, Kazuma Nakamura, Ryotaro Arita +1
First-principles study of spin-wave dispersion in Sm(Fe$_{1-x}$Co$_{x}$)$_{12}$
Taro Fukazawa, Hisazumi Akai, Yosuke Harashima +1
Ab-initio Low-Energy Model of Transition-Metal-Oxide Heterostructure LaAlO3/SrTiO3
Motoaki Hirayama, Takashi Miyake, Masatoshi Imada
Ab-initio procedure for effective models of correlated materials with entangled band structure
Takashi Miyake, Ferdi Aryasetiawan, Masatoshi Imada
Electronic band structure of 4d and 5d transition metal trichalcogenides
Yusuke Sugita, Takashi Miyake, Yukitoshi Motome
Second-order Perturbation Formula for Magnetocrystalline Anisotropy using Orbital Angular Momentum Matrix
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi
Quantum Theory of Rare-Earth Magnets
Takashi Miyake, Hisazumi Akai
Electronic Structure of Novel Superconductor Ca4Al2O6Fe2As2
Takashi Miyake, Taichi Kosugi, Shoji Ishibashi +1
Screened Coulomb interaction in the maximally localized Wannier basis
Takashi Miyake, F. Aryasetiawan
Nitrogen as the best interstitial dopant among $X$=B, C, N, O and F for strong permanent magnet NdFe$_{11}$Ti$X$: First-principles study
Yosuke Harashima, Kiyoyuki Terakura, Hiori Kino +2
Satellites and large doping- and temperature-dependence of electronic properties in hole-doped BaFe2As2
Philipp Werner, Michele Casula, Takashi Miyake +3
The coherence-incoherence crossover and the mass-renormalization puzzles in Sr2RuO4
Jernej Mravlje, Markus Aichhorn, Takashi Miyake +3
Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
Jan M. Tomczak, Michele Casula, Takashi Miyake +2
Machine learning reveals orbital interaction in crystalline materials
Tien Lam Pham, Hiori Kino, Kiyoyuki Terakura +4
Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory
Motoaki Hirayama, Takashi Miyake, Masatoshi Imada +1
Crystal field splittings in rare earth-based hard magnets: an ab initio approach
Pascal Delange, Silke Biermann, Takashi Miyake +1
Spin-orbital frustration in pyrochlores A2Mo2O7
Hiroshi Shinaoka, Yukitoshi Motome, Takashi Miyake +1
Relevance of $4f$-$3d$ exchange to finite-temperature magnetism of rare-earth permanent magnets: an ab-initio-based spin model approach for NdFe$_{12}$N
Munehisa Matsumoto, Hisazumi Akai, Yosuke Harashima +2
Topological Dirac Nodal Lines and Surface Charges in fcc Alkaline Earth Metals
Motoaki Hirayama, Ryo Okugawa, Takashi Miyake +1
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
Important descriptors and descriptor groups of Curie temperatures of rare-earth transition-metal binary alloys
Hieu Chi Dam, Viet Cuong Nguyen, Tien Lam Pham +4
Slab Thickness Dependence of Rashba Splitting on Au(111) Surface: First-Principles and Model Analyses
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi
Anisotropy of exchange stiffness based on atomic-scale magnetic properties in rare-earth permanent magnet Nd$_2$Fe$_{14}$B
Yuta Toga, Masamichi Nishino, Seiji Miyashita +2
Electronic properties of alkali-metal loaded zeolites -- a "supercrystal" Mott insulator
Ryotaro Arita, Takashi Miyake, Takao Kotani +5
Multiple Dirac Cones and Topological Magnetism in Honeycomb-Monolayer Transition Metal Trichalcogenides
Yusuke Sugita, Takashi Miyake, Yukitoshi Motome
Weyl Node and Spin Texture in Trigonal Tellurium and Selenium
Motoaki Hirayama, Ryo Okugawa, Shoji Ishibashi +2
Robust flat bands in RCo5 (R=rare earth) compounds
Masayuki Ochi, Ryotaro Arita, Munehisa Matsumoto +2
Monte Carlo analysis for finite temperature magnetism of Nd$_2$Fe$_{14}$B permanent magnet
Yuta Toga, Munehisa Matsumoto, Seiji Miyashita +4
First-principles Electronic Structure of Superconductor Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$: Comparison with LaFePO and Ca$_4$Al$_2$O$_6$Fe$_2$As$_2$
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi
Noncollinear magnetism and spin-orbit coupling in 5d pyrochlore oxide Cd2Os2O7
Hiroshi Shinaoka, Takashi Miyake, Shoji Ishibashi
Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe
Motoaki Hirayama, Takahiro Misawa, Takashi Miyake +1
Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
Markus Aichhorn, Leonid Pourovskii, Veronica Vildosola +5
Emergence of topological semimetals in gap closing in semiconductors without inversion symmetry
Shuichi Murakami, Motoaki Hirayama, Ryo Okugawa +1
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
First-principles structural optimization and electronic structure of the superconductor picene for various potassium doping levels
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi +2
Asymmetric band widening by screened exchange competing with local correlations in SrVO3: new surprises on an old compound from combined GW and dynamical mean field theory GW+DMFT
Jan M. Tomczak, Michele Casula, Takashi Miyake +1
Derivation of Static Low-Energy Effective Models by ab initio Downfolding Method without Double Counting of Coulomb Correlations: Application to SrVO3, FeSe and FeTe
Motoaki Hirayama, Takashi Miyake, Masatoshi Imada
Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
Masatoshi Imada, Takashi Miyake
Theoretical evidence for strong correlations and incoherent metallic state in FeSe
Markus Aichhorn, Silke Biermann, Takashi Miyake +2
Electronic structure of solid coronene: differences and commonalities to picene
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi +2
A regression-based feature selection study of the Curie temperature of transition-metal rare-earth compounds: prediction and understanding
Hieu Chi Dam, Viet Cuong Nguyen, Tien Lam Pham +4
First-Principles Electronic Structure of Solid Picene
Taichi Kosugi, Takashi Miyake, Shoji Ishibashi +2