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论文类型： 期刊论文

发表时间： 2008-07-01

发表刊物： 18th European Conference on Diamond, Diamond-Like Materials, Carbon Nanotubes, Nitrides and Silicon Carbide

收录刊物： SCIE、EI、CPCI-S

卷号： 17

期号： 7-10,SI

页面范围： 1353-1355

ISSN号： 0925-9635

摘要： Diamond is the hardest material with superior mechanical stability. Due to the widespread application in high pressure research, stability limit of diamond at ultrahigh pressure is an importance issue for theoretical and experimental studies, which remains controversy between theoretical prediction and experimental observations. In this paper, we report first-principle calculations on the relative stability of diamond under non-hydrostatic compression and the computational results demonstrate that the cubic diamond would become unstable with respect to the lonsdalite under isotropic stress tensor with mean stress as low as 26 GPa, while agree well with experimental findings under similar non-hydrostatic loading conditions. (C) 2008 Elsevier B.V. All rights reserved.