First-principles band structure calculations have been used to investigate epitaxially strained LaNiO3 films. Experimentally, tensile biaxial strain has been realized in pseudomorphic LaNiO3 films grown on SrTiO3 (001) substrates using ozone-assisted molecular beam epitaxy. Measured and calculated out-of-plane lattice parameters are in excellent agreement. This demonstrates the viability of the computational method as well as the high quality of the films.
|Original language||English (US)|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - 2003|