First Principles Based Design and Experimental Evidence for a ZnO-Based Ferromagnet at Room Temperature

Marcel H. F. Sluiter, Y. Kawazoe, Parmanand Sharma, A. Inoue, A. R. Raju, C. Rout, and U. V. Waghmare
Phys. Rev. Lett. 94, 187204 – Published 12 May 2005
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Abstract

The introduction of ferromagnetic order in ZnO results in a transparent piezoelectric ferromagnet and further expands its already wide range of applications into the emerging field of spintronics. Through an analysis of density functional calculations we determine the nature of magnetic interactions for transition metals doped ZnO and develop a physical picture based on hybridization, superexchange, and double exchange that captures chemical trends. We identify a crucial role of defects in the observed weak and preparation sensitive ferromagnetism in ZnOMn and ZnOCo. We predict and explain codoping of Li and Zn interstitials to both yield ferromagnetism in ZnOCo, in contrast with earlier insights, and verify it experimentally.

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  • Received 26 October 2004

DOI:https://doi.org/10.1103/PhysRevLett.94.187204

©2005 American Physical Society

Authors & Affiliations

Marcel H. F. Sluiter1,*, Y. Kawazoe1, Parmanand Sharma1,†, A. Inoue1, A. R. Raju2, C. Rout2, and U. V. Waghmare2

  • 1Institute for Materials Research, Tohoku University, Sendai, 980-8577 Japan
  • 2Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bangalore, 560 064 India

  • *Lab. Mat. Sci., Delft Univ. Techn., 2628AL Delft, the Netherlands.
  • Japan Science and Technology Agency, Sendai, Japan.

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Issue

Vol. 94, Iss. 18 — 13 May 2005

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