Strain control of orbital polarization and correlated metal-insulator transition in La2CoMnO6 from first principles

Shuhui Lv, Hongping Li, Zhongchang Wang, Lin Han, Yao Liu, Xiaojuan Liu, Jian Meng

    Research output: Contribution to journalArticlepeer-review

    20 Citations (Scopus)

    Abstract

    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.

    Original languageEnglish
    Article number202110
    JournalApplied Physics Letters
    Volume99
    Issue number20
    DOIs
    Publication statusPublished - 2011 Nov 14

    ASJC Scopus subject areas

    • Physics and Astronomy (miscellaneous)

    Fingerprint Dive into the research topics of 'Strain control of orbital polarization and correlated metal-insulator transition in La<sub>2</sub>CoMnO<sub>6</sub> from first principles'. Together they form a unique fingerprint.

    Cite this