688 citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Toyota Physical and Chemical Research InstituteJP26 papers
- The University of TokyoJP22 papers
- Paul Scherrer InstituteCH13 papers
- Kyoto UniversityJP12 papers
- TRIUMFCA12 papers
- University of British ColumbiaCA12 papers
- Waseda UniversityJP11 papers
- Centre National de la Recherche ScientifiqueFR10 papers
- ETH ZurichCH10 papers
- Nagoya UniversityJP10 papers
- École Polytechnique Fédérale de LausanneCH6 papers
- National Institute for Materials ScienceJP6 papers
18 papers · 1 filter
Stark difference in the in-plane anomalous Hall response in Zintl compounds EuA2Sb2 (A = Zn, Cd) thin films
Hsiang Lee, Shinichi Nishihaya, Markus Kriener +5
Recent observation of the in-plane anomalous Hall effect in magnetic Weyl semimetal EuCd2Sb2 has drawn attention to out-of-plane orbital magnetization induced by an in-plane field…
Anomalous Hall effect in Dirac semimetal probed by in-plane magnetic field
Shinichi Nishihaya, Hiroaki Ishizuka, Yuki Deguchi +5
Intrinsic anomalous Hall effect (AHE) formulated by geometric properties of Bloch wavefunctions is a ubiquitous transport phenomenon not limited to magnetic systems but also allowe…
Spontaneous in-plane anomalous Hall response observed in a ferromagnetic oxide
Shinichi Nishihaya, Yuta Matsuki, Haruto Kaminakamura +3
Recent observation of anomalous Hall effect (AHE) induced by magnetic field or spin magnetization lying in the Hall deflection plane has sparked interest in diverse mechanisms for…
Creation of crystal structure reproducing X-ray diffraction pattern without using database
Joohwi Lee, Junpei Oba, Nobuko Ohba +1
When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. Howeve…
Doping effect and Li-ion conduction mechanism of ALi6XO6 (A = K or Rb, and X = pentavalent): A first-principles study
Joohwi Lee, Ryoji Asahi
Recent theoretical and experimental evaluations demonstrated that KLi6TaO6 is a good Li-ion conductor. In this study, the energetics and detailed mechanism of Li-ion migration, rel…
Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
Carla Verdi, Ferenc Karsai, Peitao Liu +2
Machine-learned interatomic potentials enable realistic finite temperature calculations of complex materials properties with first-principles accuracy. It is not yet clear, however…
Transfer learning for materials informatics using crystal graph convolutional neural network
Joohwi Lee, Ryoji Asahi
For successful applications of machine learning in materials informatics, it is necessary to overcome the inaccuracy of predictions ascribed to insufficient amount of data. In this…
Investigation of Ionic and Anomalous Magnetic Behavior in CrSe Using Li -NMR
John O. Ticknor, Izumi Umegaki, Ryan M. L. McFadden +12
We have studied a mosaic of 1T-CrSe single crystals using -detected nuclear magnetic resonance of Li from 4 to 300 K. We identify two broad resonances that show no evi…
On-the-fly machine learning force field generation: Application to melting points
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
An efficient and robust on-the-fly machine learning force field method is developed and integrated into an electronic-structure code. This method realizes automatic generation of m…
Magnetic moment of rare earth elements in R2Fe14B estimated with μ^+SR
Jun Sugiyama, Kazutoshi Miwa, Hiroshi Nozaki +6
The ferromagnetic (FM) nature of Nd2Fe14B has been investigated with muon spin rotation and relaxation (μ^+SR) measurements on an aligned, sintered plate-shaped sample. A clear muo…
Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai +2
Realistic finite temperature simulations of matter are a formidable challenge for first principles methods. Long simulation times and large length scales are required, demanding ye…
Bi-Arrhenius diffusion and surface trapping of Li in rutile TiO
A. Chatzichristos, R. M. L. McFadden, M. H. Dehn +11
We report measurements of the diffusion rate of isolated ion-implanted Li within 120 nm of the surface of oriented single-crystal rutile TiO using a radiotrac…
Lithium Diffusion & Magnetism in Battery Cathode Material LixNi1/3Co1/3Mn1/3O2
M. Mansson, H. Nozaki, J. M. Wikberg +7
We have studied low-temperature magnetic properties as well as high-temperature lithium ion diffusion in the battery cathode materials LixNi1/3Co1/3Mn1/3O2 by the use of muon spin…
Na-ion dynamics in Quasi-1D compound NaV2O4
Martin Mansson, Izumi Umegaki, Hiroshi Nozaki +5
We have used the pulsed muon source at ISIS to study high-temperature Na-ion dynamics in the quasi-one-dimensional (Q1D) metallic antiferromagnet NaV2O4. By performing systematic z…
Li diffusion in LiCoO probed by muon-spin spectroscopy
Jun Sugiyama, Kazuhiko Mukai, Yutaka Ikedo +3
The diffusion coefficient of Li ions () in the battery material LiCoO has been investigated by muon-spin relaxation (SR). Based on the experiments in z…
First-principles study on the intermediate compounds of LiBH
N. Ohba, K. Miwa, M. Aoki +5
We report the results of the first-principles calculation on the intermediate compounds of LiBH. The stability of LiBH and LiBH has been examined w…
Accurate first principles detailed balance determination of Auger recombination and impact ionization rates in semiconductors
S. Picozzi, R. Asahi, C. B. Geller +1
The technologically important problem of predicting Auger recombination lifetimes in semiconductors is addressed by means of a fully first--principles formalism. The calculations e…
Impact ionization in GaAs: a screened exchange density functional approach
S. Picozzi, R. Asahi, C. B. Geller +2
Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and th…