2 papers
physics.chem-ph2019
Interaction between Mo and intrinsic or extrinsic defects of Mo doped LiNbO from first-principles calculations
Weiwei Wang, Hongde Liu, Dahuai Zheng +3
Lithium niobate (LiNbO, LN) plays an important role in holographic storage, and molybdenum doped LiNbO (LN:Mo) is an excellent candidate for holographic data storage. In th…
cond-mat.mes-hall2016
Energy calculations of charged point defects on surfaces
Feifei Li, Zhenpeng Hu, Ziping Niu +1
We present a virtual ionic crystal (VIC) method to calculate energies of charged point defects on surfaces. No artificial charge but an actual zero-dimensional (0D) species is intr…