Effect of Defects on Spontaneous Polarization in Pure and Doped LiNbO3: First-Principles Calculations

Effect of Defects on Spontaneous Polarization in Pure and Doped LiNbO3: First-Principles Calculations

Numerous studies have indicated that intrinsic defects in lithium niobate (LN) dominate its physical properties. In an Nb-rich environment, the structure that consists of a niobium anti-site with four lithium vacancies is considered the most stable structure. Based on the density functional theory (...

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Bibliographic Details
Main Authors: Weiwei Wang, Dahuai Zheng, Mengyuan Hu, Shahzad Saeed, Hongde Liu, Yongfa Kong, Lixin Zhang, Jingjun Xu
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Materials
Subjects:
lithium niobate
spontaneous polarization
dipole moment
defects
Online Access:http://www.mdpi.com/1996-1944/12/1/100

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http://www.mdpi.com/1996-1944/12/1/100

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