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A wealth of intriguing properties emerge in the seemingly simple systemcomposed of the band insulators LaAlO3 and SrTiO3 such as a two-dimensionalelectron gas, superconductivity and magnetism. In this paper we review thecurrent insight obtained from first principles calculations on the mechanismsgoverning the behavior of thin LaAlO3 films on SrTiO3(001). In particular, weexplore the strong dependence of the electronic properties on the surface andinterface termination, the finite film thickness, lattice polarization anddefects. A further aspect that is addressed is how the electronic behavior andfunctionality can be tuned by a SrTiO3 capping layer, adsorbates and metalliccontacts. Lastly, we discuss recent reports on the coexistence of magnetism andsuperconductivity in this system for what they might imply about the electronicstructure of this system.

philosophical transactions - royal society. mathematical, physical and engineering sciences/philosophical transactions - royal society. mathematical, physical and engineering sciences

Termination control of electronic phases in oxide thin films and interfaces: LaAlO3/SrTiO3(001)