By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain. The (LaMnO3)2/(SrTiO3)2 superlattice is analysed with respect to its structure, magnetism, and electronic properties. Our results demonstrate that uniaxial strain in an experimentally accessible range, both tensile and compressive, can be used to induce half-metallicity. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
Bibliographical noteKAUST Repository Item: Exported on 2020-10-01
Acknowledgements: We thank N. Singh for fruitful discussions, L.-Y. Gan for technical support, and the KAUST research computing team for supplying the computational resources for this study. The calculations were performed on a Linux cluster with Intel Xeon X5570 X86-64 CPU architecture. Research reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST).