The CdTiO3/BaTiO3 superlattice interface from first principles
| Autor: | Alexander P. Pyatakov, Chen Chen, Shixun Cao, Le Fang, Wei Ren, N. V. Ter-Oganessian, Jincang Zhang, A. Sundaresan, Chandrabhas Narayana |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Materials science
Condensed matter physics Superlattice 02 engineering and technology Electronic structure Electron Conductivity 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Ferroelectricity 0104 chemical sciences Effective mass (solid-state physics) Dispersion (optics) General Materials Science 0210 nano-technology Polarization (electrochemistry) |
| Zdroj: | Nanoscale. |
| ISSN: | 2040-3372 2040-3364 |
| Popis: | The oxide interface has been studied extensively in the past decades and exhibits different physical properties from the constituent bulks. Using first-principles electronic structure calculations, we investigated the interface of CdTiO3/BaTiO3 (CTO/BTO) superlattice with ferroelectric BaTiO3. In this case, the conduction bands of CdTiO3 are composed of Cd-5s orbitals with low electron effective mass and nondegenerate dispersion, and thus expected to have high mobility. We predicted a controllable conductivity at the interface, and further analyzed how the polarization direction and strength affect the conductivity. We also explored the relationship between two components: thickness and polarization. Intriguingly, the total polarization in CTO/BTO might be even larger than that of ferroelectric bulk BaTiO3. Therefore, we found a way to maximize the superlattice polarization by increasing the fraction of the CdTiO3 layers, based on the interesting dependence of the total polarization and CTO/BTO ratio. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|