Jiaqi Cheng

Extraordinary Cation-Replace-Cation Antisite Defects Predominate in α-Phase Bi2SeO5

Abstract As a newly identified single-crystalline van der Waals dielectric with a high dielectric constant, α-phase Bi2SeO5 (α-BSO) plays a pivotal role in advancing 2D electronic devices. In this work, we systematically investigate the defect properties of α-BSO using first-prin...