20 citations · 57 across the 6 of their papers we have counts for
6 papers
Topological Data Analysis of Ion Migration Mechanism
Ryuhei Sato, Kazuto Akagi, Shigeyuki Takagi +4
Topological data analysis based on persistent homology has been applied to the molecular dynamics simulation for the fast ion-conducting phase (-phase) of AgI, to show its effec…
Colossal reversible barocaloric effects in a plastic crystal mediated by lattice vibrations and ion diffusion
Ming Zeng, Carlos Escorihuela-Sayalero, Tamio Ikeshoji +8
Solid-state methods for cooling and heating promise a more sustainable alternative to current compression cycles of greenhouse gases and inefficient fuel-burning heaters. Barocalor…
Colossal barocaloric effects in the complex hydride LiBH
Kartik Sau, Tamio Ikeshoji, Shigeyuki Takagi +4
Traditional refrigeration technologies based on compression cycles of greenhouse gases pose serious threats to the environment and cannot be downscaled to electronic device dimensi…
Effect of -site size difference on polar behavior in BiScNbO,(Na, K and Rb): Density functional calculations
S. Takagi, A. Subedi, V. R. Cooper +1
We investigate the effect of -site size differences in the double perovskites BiScO-NbO (Na, K and Rb) using first-principles calculations. We find that the pol…
Polar behavior of double perovskite (Bi,Pb)ZnNbO6 and (Bi,Sr)ZnNbO6: Density functional calculations
S. Takagi, A. Subedi, D. J. Singh +1
The polar behavior of double perovskite (Bi,Pb)ZnNbO and (Bi,Sr)ZnNbO was investigated using first principles density functional calculations within the local density appro…
Electron Transfer from Hydrogen Molecule to Au(111) During Dissociative Adsorption: A First-Principles Study
Shigeyuki Takagi, Jun-ichi Hoshino, Hidekazu Tomono +1
We investigate the electron transfer from a dissociatively adsorbed H2 molecule to a Au(111) surface using the first-principles methods. A fractional electron transfers from a mole…