Electronic and optical properties of aluminium-doped anatase and rutile TiO2 from ab initio calculations
The electronic-structure and optical properties of aluminium-doped rutile and anatase TiO2 have been investigated using density-functional theory with plane-wave basis sets and pseudopotentials. This was done using the periodic supercell method as implemented within the CASTEP software package with...
| Main Authors: | , , |
|---|---|
| Format: | Journal article |
| Language: | English |
| Published: |
2010
|