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Semiconducting Electronic Structure of the Ferromagnetic Spinel Revealed by Soft-X-Ray Angle-Resolved Photoemission Spectroscopy
Hiroaki Tanaka, Andrei V. Telegin, Yurii P. Sukhorukov +12
We study the electronic structure of the ferromagnetic spinel by soft-x-ray angle-resolved photoemission spectroscopy (SX-ARPES) and first-p…
Lattice dielectric properties of rutile : First-principles anharmonic self-consistent phonon study
Tomohito Amano, Tamio Yamazaki, Ryosuke Akashi +2
We calculate the lattice dielectric function of strongly anharmonic rutile from ab initio anharmonic lattice dynamics methods. Since an accurate calculation of the…
A Noise-Robust Data Assimilation Method for Crystal Structure Prediction Using Powder Diffraction Intensity
Seiji Yoshikawa, Ryuhei Sato, Ryosuke Akashi +2
Crystal structure prediction for a given chemical composition has long been a challenge in condensed-matter science. We have recently shown that experimental powder X-ray diffracti…
Development of exchange-correlation functionals assisted by machine learning
Ryo Nagai, Ryosuke Akashi
With the recent rapid progress in the machine-learning (ML), there have emerged a new approach using the ML methods to the exchange-correlation functional of density functional the…