Elsevier, Scripta Materialia, 4(55), p. 391-394
DOI: 10.1016/j.scriptamat.2006.04.018
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The mechanical behavior of the cubic spinel SiAlON polymorph (c-Si 6Àz Al z O z N 8Àz , z = 1), was modeled using an ab initio den-sity functional technique. The cubic spinel structure exhibits a maximum stress response of $33 and $40 GPa, for the applied c 11 and c 23 components of strain, respectively. An existing empirical technique was employed to determine the hardness of the SiAlON crystal: $40 GPa. For completeness the hypothesis of the empirical formalism is discussed.