Diamond Structure BeO, Designable Super-Hard Materials and Semiconductor Be-Diamond |
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Authors: | XU Ji-An BI Yan SUN Zong-Qi XIE Hong-Sen |
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Affiliation: | Institute of Fluid Physics, China Academy Engineering Physics, Mianyang 621900Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550002 |
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Abstract: | It is possible for Beryllium oxide (BeO) to have a cubic diamond structure although it normally has a hexagonal structure under ambient conditions. As the solution of cubic BN and diamond, the solid solution of cubic BeO-diamond or BeO-cBN-diamond can potentially be a kind of super-hard materials with designable hardness; and this solution has also been confirmed based on our preliminary first principles calculations. In addition, the nonstoichiometry of BeO could create a mobile carrier in the cubic BeO-C or BeO-BN-C system and it might lead to a new type of semiconductor Be-diamond. |
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Keywords: | 62.50.-p 81.05.Jc 81.05.Zx |
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