Ab initio Calculations on the Electronic Properties of Fe-doped LiNbO3 Through Modified Becke-Johnson Exchange Potential
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-021-05886-y
Abstract: In this work, a theoretical investigation on the effect of Fe on the structural and electronic properties of bulk LiNbO3 perovskite with different concentrations (x = 8.33% and 16.66%) was developed using density functional theory… read more here.
Keywords: calculations electronic; doped linbo3; initio calculations; linbo3 modified ... See more keywords
Investigation of ferromagnetism in (Mn, Ga) co-doped LiNbO3 by density functional theory
Sign Up to like & getrecommendations! Published in 2020 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2019.166380
Abstract: Abstract First-principles calculations are performed to investigate the electronic structures and magnetic properties of (Mn, Ga) co-doped LiNbO3. The results show that it is available to tune the magnetism of Mn mono-doped LiNbO3, and the… read more here.
Keywords: density functional; linbo3 density; ferromagnetism doped; functional theory ... See more keywords
A first-principle study on the electronic properties of substitutionally Cu (I, II)-doped LiNbO3
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Advanced Dielectrics"
DOI: 10.1142/s2010135x18200023
Abstract: The electronic properties of Cu-doped lithium niobate (LiNbO3) systems are investigated by first-principles calculations. In this work, we focus on substitutionally Cu→Li-doped LiNbO3 system with c... read more here.
Keywords: first principle; principle study; substitutionally doped; electronic properties ... See more keywords