The recent epitaxial growth of single-crystal oxides enables the successful fabrication of variousmagnetic oxides for all-oxide magnetic heterojunctions. However, their magnetotransport propertiesare still very difficult to calculated by current simulation tools based on the density functional theory(DFT) with non-equilibrium Green’s function (NEGF) method, due to large system-size andcomplicated charge transfer at spinterfaces. In this study, we’ll develop a divide-and-conquer (DC)approach implementation within the DFT calculation combining with analytical NEGF derivation toinvestigate the magnetotransport property of all-oxide multi-layer heterojunctions in non-collinearmagnetic configuration, which may efficiently reduce the device Hamiltonian size and theself-consistent difficulty. The combination between computer programming, analytical derivation,first-principles calculation, and scientific analysis renders this proposal as a multi-discipline andhighly challenging work. We believe this newly developed DC-NEGF+DFT method may providebroad interests and even build mutual understanding between theoretical and experimental groups inall-oxide magnetic heterojunctions for spintronics applications.
|Effective start/end date||1/08/17 → 31/07/18|
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