Transition metal oxides show rich physical properties which are often influenced by external perturbation. Here, we report by first-principles calculations that strain enables switching of orbital occupancy of Co 2 in La2CoMnO6 and hence modifies electronic structure of La2CoMnO6. We find a metal-insulator transition in La2CoMnO6, which originates from the interplay between the strain induced lattice distortion and electron correlations. Such transition is understood upon the orbital polarization of Co2, which takes on the d xz / yz character under compression, yet switches to the d x 2 - y 2 character under tension. The orbital switching presented should hold promise for many technological applications.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)