Back to Search
Start Over
Comparison of carrier doping in ZnSnO3 and ZnTiO3 from first principles.
- Source :
- Physical Chemistry Chemical Physics (PCCP); 1/21/2024, Vol. 26 Issue 3, p2242-2248, 7p
- Publication Year :
- 2024
-
Abstract
- Ferroelectric materials have attracted increasing attention due to their rich properties. Unlike perovskite ferroelectric oxides, in the LiNbO<subscript>3</subscript>-type ferroelectric oxides of ABO<subscript>3</subscript>, ferroelectrically active cations are not necessary. While the effects of carrier doping on perovskite ferroelectric oxides have been extensively studied, the studies on LiNbO<subscript>3</subscript>-type ferroelectric oxides are rare. We consider two LiNbO<subscript>3</subscript>-type ferroelectric oxides ZnSnO<subscript>3</subscript> and ZnTiO<subscript>3</subscript>, where the former has no ferroelectrically active cation and the latter has ferroelectrically active cation Ti<superscript>4+</superscript>, and study the effect of carrier doping by performing first-principles calculations. Comparison results indicate that the B-site cation has significant effects on the polar distortion in LN-type ferroelectrics. Our studies show that LN-type materials can maintain the coexistence of ferroelectricity and conductance over a very wide range of concentrations. The polar displacement is even enhanced under hole doping. More importantly, ZnSnO<subscript>3</subscript> can be doped by electrons up to a high level to realize the conducting ferroelectrics of high mobility due to its isolated s conduction band. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14639076
- Volume :
- 26
- Issue :
- 3
- Database :
- Complementary Index
- Journal :
- Physical Chemistry Chemical Physics (PCCP)
- Publication Type :
- Academic Journal
- Accession number :
- 174836906
- Full Text :
- https://doi.org/10.1039/d3cp04075e