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Gallium diffusion in zinc oxide via the paired dopant-vacancy mechanism

Sky, Thomas Neset; Johansen, Klaus Magnus H; Riise, Heine Nygard; Svensson, Bengt Gunnar; Vines, Lasse
Journal article; PublishedVersion; Peer reviewed
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1592021.pdf (810.8Kb)
Year
2018
Permanent link
http://urn.nb.no/URN:NBN:no-68232

CRIStin
1592021

Is part of
Sky, Thomas Neset (2019) Impurity Diffusion in Single Crystal Zinc Oxide. Doctoral thesis
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  • Fysisk institutt [2260]
  • CRIStin høstingsarkiv [15167]
Original version
Journal of Applied Physics. 2018, 123 (5), DOI: http://dx.doi.org/10.1063/1.5000123
Abstract
Isochronal and isothermal diffusion experiments of gallium (Ga) in zinc oxide (ZnO) have been performed in the temperature range of 900–1050 °C. The samples used consisted of a sputter-deposited and highly Ga-doped ZnO film at the surface of a single-crystal bulk material. We use a novel reaction diffusion (RD) approach to demonstrate that the diffusion behavior of Ga in ZnO is consistent with zinc vacancy (VZn) mediation via the formation and dissociation of GaZnVZn complexes. In the RD modeling, experimental diffusion data are fitted utilizing recent density-functional-theory estimates of the VZn formation energy and the binding energy of GaZnVZn. From the RD modeling, a migration energy of 2.3 eV is deduced for GaZnVZn, and a total/effective activation energy of 3.0 eV is obtained for the Ga diffusion. Furthermore, and for comparison, employing the so-called Fair model, a total/effective activation energy of 2.7 eV is obtained for the Ga diffusion, reasonably close to the total value extracted from the RD-modeling.

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