Microscopic Origins of Electron and Hole Stability in ZnO

Details Microscopic Origins of Electron and Hole Stability in ZnO Microscopic Origins of Electron and Hole Stability in ZnO

2011-02-02

arxiv.org/abs/1102.0400v1

Physics

Condensed Matter

Materials Science

Accepted to Chemical Communications (2011)

Scientific paper

10.1039/C1CC10314H

A novel and direct method is proposed to assess the doping limits of
semiconducting materials. Applied to the case of ZnO, our first-principles
calculations demonstrate that p-type ZnO is thermodynamically unstable.

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