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Diamond Structure BeO, Designable Super-Hard Materials and Semiconductor Be-Diamond
Authors:XU Ji-An  BI Yan  SUN Zong-Qi  XIE Hong-Sen
Affiliation:Institute of Fluid Physics, China Academy Engineering Physics, Mianyang 621900Institute of Geochemistry, Chinese Academy of Sciences, Guiyang 550002
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.
Keywords:62.50.-p  81.05.Jc  81.05.Zx
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