2 papers
cond-mat.mtrl-sci2026
All-Electron Single-Atom Reference Correction for Absolute Transition Energies in Fixed-Reference PAW-XCH Calculations
Yinan Wang, Teruyasu Mizoguchi
The transition energy of a core-loss spectrum comprises a transferable atomic core-reference contribution and a material-dependent response that determines chemical shifts. Density…
cond-mat.mtrl-sci2025
Twisted oxide membrane interface by local atomic registry design
Min-Su Kim, Kyoungjun Lee, Ryo Ishikawa +9
Interplay of lattice, orbital, and charge degrees of freedom in complex oxide materials has hosted a plethora of exotic quantum phases and physical properties. Recent advances in s…