4.7 Article

The wurtzite-rocksalt phase transition for a BexMgyZn1-x-yO alloy: Be content vs Mg content

Journal

JOURNAL OF ALLOYS AND COMPOUNDS
Volume 608, Issue -, Pages 197-201

Publisher

ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2014.04.122

Keywords

Oxide materials; Phase transitions; Computer simulations; Optical spectroscopy

Funding

  1. National Science Foundation of China [51232009, 11105140, 11275191]

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The Be-and Mg-content-dependent phase transition of BexMgyZn1 x O-y alloy is investigated by theoretically calculations and experiments. For a given content of Be, the maximum content of Mg at which the wurtzite structure still remains in BexMgyZn1 x O-y alloy is intensively studied. We find that as the content of Be increases, the maximum content of Mg in wurtzite BexMgyZn(1 x) O-y alloy increases accordingly. Moreover, the Be-and Mg-content-dependent band gap of the alloy at each wurtzite-rocksalt transition point is evaluated, which is expressed as an empirical law. In addition, the mechanism underlying the tunable band gap of the alloy in wurtzite BexMgyZn1 x O-y alloy is revealed. (C) 2014 Elsevier B.V. All rights reserved.

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