4 papers
Search for high-pressure phases of yttrium via a data assimilation approach
Yuuki Kubo, Takahiro Ishikawa, Yuta Tanaka +3
We investigate the distorted face-centered-cubic (dfcc) phase of yttrium (Y) using a data-assimilation-based structure search that combines high-resolution powder x-ray diffraction…
Superconducting LaPtH with triatomic hydrogen units
T. Ishikawa, Y. Tanaka, S. Tsuneyuki
To veryfy "hot supreconductivity" recently proposed in lanthanum hydride-based compounds, we explored thermodynamically stable and superconducting phases in the lanthanum (La)-plat…
Data-Assimilated Crystal Growth Simulation for Multiple Crystalline Phases
Yuuki Kubo, Ryuhei Sato, Yuansheng Zhao +2
To determine crystal structures from an X-ray diffraction (XRD) pattern containing multiple unknown phases, a data-assimilated crystal growth (DACG) simulation method has been deve…
Evolutionary search for superconducting phases in the lanthanum-nitrogen-hydrogen system with universal neural network potential
Takahiro Ishikawa, Yuta Tanaka, Shinji Tsuneyuki
Recently, Grockowiak reported "hot superconductivity" in ternary or multinary compounds based on lanthanum hydride [A. D. Grockowiak , Front. Ele…