Regensburg 2016 – wissenschaftliches Programm
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SYES: Symposium Frontiers of Electronic Structure Theory: Focus on Topology and Transport
SYES 6: Frontiers of Electronic Structure Theory: Focus on Topology and Transport IV
SYES 6.4: Vortrag
Donnerstag, 10. März 2016, 11:45–12:00, H24
Electronic reconstruction and anomalous Hall conductivity in 3d-oxide honeycomb lattices within the corundum structure — •santu baidya and rossitza pentcheva — Fakultät für Physik and Center of Nanointegration (CENIDE), Universität Duisburg-Essen, 47057 Duisburg
The electronic structure of 3d transition metal oxide honeycomb layers confined in the corundum structure (α-Al2O3) along the [0001] direction is investigated using density functional theory including an on-site Coulomb term (GGA+U). While in some cases (e.g. (M2O3)/(Al2O3)5, M=Fe, Co, V, Cr, Ni) the confined geometry preserves the magnetic and electronic ground state properties of the corresponding bulk corundum compound M2O3, strong deviations from the bulk behavior are observed in the case of Ti2O3 and Mn2O3 bilayers. Our results indicate a formation of a quasi two-dimensional electron gas with a vertical confinement of ∼5 Å for Ti2O3 and ∼8.5 Å for Mn2O3. As a function of lateral strain (Ti2O3)/(Al2O3)5 undergoes a metal-to-insulator transition associated with a switching of orbital polarization. In the metallic state the Dirac point can be tuned to the Fermi level by variation of the c/a ratio. Including spin-orbit coupling a finite anomalous Hall conductivity is observed in (M2O3)/(Al2O3)5 (M=Ti, Mn).