Mechanism and control of the metal-to-insulator transition in rocksalt tantalum nitride

L. Yu, C. Stampfl, D. Marshall, T. Eshrich, V. Narayanan, J. M. Rowell, N. Newman, and A. J. Freeman
Phys. Rev. B 65, 245110 – Published 3 June 2002
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Abstract

We identify the previously unknown mechanism whereby rocksalt TaxN can be continuously tuned from conducting to insulating through changes in stoichiometry. Experimental measurements on thin films, combined with electronic structure calculations on a host of native defects, show that the tunability arises from changes in the free electron concentration as a result of localization at Ta vacancies (VTa). The observed enhanced resistivity, transition from electron to hole conduction at x0.6, and diminished mid-IR reflectance are consistent with the dominance of the VTa defect in nitrogen-rich material.

  • Received 21 December 2001

DOI:https://doi.org/10.1103/PhysRevB.65.245110

©2002 American Physical Society

Authors & Affiliations

L. Yu1, C. Stampfl2, D. Marshall3, T. Eshrich3, V. Narayanan1, J. M. Rowell1,4, N. Newman1,*, and A. J. Freeman2

  • 1Chemical and Materials Engineering Department and Electrical Engineering Department, Arizona State University, Tempe, Arizona 85287
  • 2Department of Physics and Astronomy, Northwestern University, Evanston, Illinois 60208-3112
  • 3Motorola, Physical Sciences Research Labs, 7700 S. River Parkway, Tempe, Arizona 85284
  • 4Materials Research Institute, Northwestern University, Evanston, Illinois 60208-3112

  • *Corresponding author.

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Vol. 65, Iss. 24 — 15 June 2002

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