Janina Roknić, Katarina Žiberna, Maja Koblar, Matic Poberžnik, Anton Kokalj, Goran Dražić, Andreja Benčan Golob. “Point-defect-enhanced local polarization in (K0.5Na0.5)NbO3 revealed by atomic-scale microscopy and simulations.” ChemRxiv (). https://doi.org/10.26434/chemrxiv.15007489/v1

Simulation results were not retained

(K0.5Na0.5)NbO3 single crystal
EELS, sample thickness Approximately 20 nm
HAADF-STEM viewing direction [100]pc zone axis
HAADF-STEM, Nb displacement direction Clustered approximately in the [011]pc direction
HAADF-STEM, average Nb displacement 20 pm
HAADF-STEM, Nb displacement standard deviation 5 pm
4D-STEM viewing direction [100]pc zone axis
iDPC-STEM viewing direction [100]pc zone axis
iDPC-STEM, localized intensity drops One oxygen column and two adjacent A-site columns
iDPC-STEM, suggested clustered defect Neutral oxygen-vacancy–A-site-vacancy complex (e.g., VO∙∙−2VK/Na′)
iDPC-STEM, Nb displacement direction Predominantly along the [001]pc direction
iDPC-STEM, average Nb displacement 24 ± 6 pm
Electron microscopy operating voltage 200 kV