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; Nathan Newman; A. J. Freeman

doi:10.1103/PhysRevB.65.245110

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, Nathan Newman, A. J. Freeman

Research output: Contribution to journal › Article › peer-review

70 Scopus citations

Abstract

We identify the previously unknown mechanism whereby rocksalt Ta_xN 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 (V_Ta). The observed enhanced resistivity, transition from electron to hole conduction at x∼0.6, and diminished mid-IR reflectance are consistent with the dominance of the V_Ta defect in nitrogen-rich material.

Original language	English (US)
Article number	245110
Pages (from-to)	2451101-2451105
Number of pages	5
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	65
Issue number	24
DOIs	https://doi.org/10.1103/PhysRevB.65.245110
State	Published - Jun 15 2002

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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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 x∼0.6, and diminished mid-IR reflectance are consistent with the dominance of the VTa defect in nitrogen-rich material.",

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AU - Stampfl, C.

AU - Marshall, D.

AU - Eshrich, T.

AU - Narayanan, V.

AU - Rowell, J. M.

AU - Newman, Nathan

AU - Freeman, A. J.

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N2 - 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 x∼0.6, and diminished mid-IR reflectance are consistent with the dominance of the VTa defect in nitrogen-rich material.

AB - 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 x∼0.6, and diminished mid-IR reflectance are consistent with the dominance of the VTa defect in nitrogen-rich material.

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

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