Observation of room-temperature ferromagnetism in Cu:ZnO films part II; a theoretical study

ORAL

Abstract

To better understand the observation of room-temperature ferromagnetic ordering in O-deficient Cu:ZnO films [1], we calculated the configuration-averaged spectral function $\langle A(k,\omega)\rangle$ of ZnO with 2\% Cu impurities and 1\% O vacancies within the ``LDA+U'' approximation, solving the Hamiltonian only within the low energy Hilbert space, defined via the first-principles Wannier functions [2]. Based on these first principles results we proposed a microscopic ``indirect double-exchange'' model for the FM in Cu:ZnO that explains our main experimental findings.\\[4pt] [1] T.S. Herng et al, Phys. Rev. Lett. {\bf 105}, 207201 (2010)\\[0pt] [2] T. Berlijn et al, arXiv:1004.1156 (2010)

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Authors

  • T. Berlijn

    • Brookhaven National Laboratory

  • W. Ku

    • Brookhaven National Laboratory

  • T.S. Herng

    • National University of Singapore

  • D.-C. Qi

    • National University of Singapore

  • J.B. Yi

    • National University of Singapore

  • K.S. Yang

    • National University of Singapore

  • Y. Dai

    • Shangdong University

  • Y.P. Feng

    • National University of Singapore

  • I. Santoso

    • National University of Singapore

  • C. Sanchez-Hanke

    • Brookhaven National Laboratory

  • X.Y. Gao

    • National University of Singapore

  • A.T.S. Wee

    • National University of Singapore

  • J. Ding

    • National University of Singapore

  • A. Rusydi

    • National University of Singapore