Topological Oxide Insulator in Cubic Perovskite Structure

• DOI: 10.1038/srep01651
• Publication Date: 2013-04-11T09:06:08Z
• Authors: Hosub Jin; Sonny H. Rhim; Jino Im; Arthur J. Freeman
• Keywords: Models, Molecular; Titanium; SURFACE; Electric Conductivity; Molecular Conformation; Oxides; SINGLE DIRAC CONE; Calcium Compounds; BI2SE3; 530; 01 natural sciences; Article; PHYSICS; STATES; Models, Chemical; 0103 physical sciences; Nanoparticles; Computer Simulation; COATED CONDUCTORS; BUFFER LAYERS; INTERFACES

The emergence of topologically protected conducting states with the chiral spin texture is the most prominent feature at the surface of topological insulators. On the application side, large band gap and high resistivity to distinguish surface from bulk degrees of freedom should be guaranteed for the full usage of the surface states. Here, we suggest that the oxide cubic perovskite YBiO3, more than just an oxide, defines itself as a new three-dimensional topological insulator exhibiting both a large bulk band gap and a high resistivity. Based on first-principles calculations varying the spin-orbit coupling strength, the non-trivial band topology of YBiO3 is investigated, where the spin-orbit coupling of the Bi 6p orbital plays a crucial role. Taking the exquisite synthesis techniques in oxide electronics into account, YBiO3 can also be used to provide various interface configurations hosting exotic topological phenomena combined with other quantum phases.