-
Migration of hole polarons in anatase and rutile TiO₂ through piecewise-linea...
This dataset contains the optimized structures of hole polarons in anatase and rutile TiO₂, calculated using the DFT+U and PBE0(α) functionals, with parameters tuned to satisfy... -
Magnetism in a charge doped cuprate chain
We have recently succeeded in measuring the excitation spectrum of charge doped cuprate chains with a 90 degree Cu-O-Cu bonding geometry. This study resolved a long standing...