Structure, strain, and control of ground state property in LaTiO${}_3$/LaAlO${}_3$ superlattice

Abstract

Using first-principles density functional theory calculations, we examined the ground state property of LaTiO${}_3$/LaAlO${}_3$ superlattice. Total energy calculations, taking account of the structural distortions, $U$ dependence, and exchange correlation functional dependence, show that the spin and orbital ground state can be controlled systematically by the epitaxial strain. In the wide range of strains, ferromagnetic spin and antiferro orbital ordering are stabilized, which is notably different from the previously reported ground state in titanate systems. By applying large tensile strains, the system can be transformed into an antiferromagnetic spin and ferro-orbital-ordered phase.

5 pages, 5 figures

References in corpus (9)

• Restoring the density-gradient expansion for exchange in solids and surfaces
• Generalized gradient approximation for solids and their surfaces
• Magnetic effects at the interface between nonmagnetic oxides
• Site-selective Mott transition in rare earth nickelates
• Orbital-Spin Structure and Coupling to Lattice in RTiO${}_3$ with R=La,Pr,Nd and Sm
• Lattice Distortion and Magnetism of 3d-$t_{2g}$ Perovskite Oxides
• Engineering Correlation Effects via Artificially Designed Oxide Superlattices
• Lattice Distortion and Magnetic Ground State of YTiO${}_3$ and LaTiO${}_3$
• Octahedral Engineering of Orbital Polarizations in Charge Transfer Oxides

Cited by in corpus (3)

• Magnetism and electronic structure of ($001$)- and ($111$)-oriented LaTiO${}_3$ bilayers sandwiched in LaScO${}_3$ barriers
• Magnetism of (LaCoO${}_3$)${}_n$+(LaTiO${}_3$)${}_n$ superlattices with $n=1,2$
• Quantified Degeneracy, Entropy and Metal-Insulator Transition in Complex Transition-Metal Oxides