Calculated Structure,Elastic and Electronic Properties of Mg2Pb at High Pressure
来源期刊：Journal Of Wuhan University Of Technology Materials Science Edition2012年第2期
论文作者：段永华
文章页码：377 - 381
摘 要：The effects of high pressure on structure,elastic and electronic properties of the intermetallic Mg2Pb were calculated by the first-principles plane wave pseudo-potential method in the scheme of density functional theory（DFT）within the generalized gradient approximation.The elastic constants and Debye temperature obtained at 0 GPa are in good agreement with the available experiment data and other theoretical results.The electronic properties calculated suggest that the electronic density of states（DOS）at the Fermi level decreases under high pressure.
段永华
摘 要：The effects of high pressure on structure,elastic and electronic properties of the intermetallic Mg2Pb were calculated by the first-principles plane wave pseudo-potential method in the scheme of density functional theory（DFT）within the generalized gradient approximation.The elastic constants and Debye temperature obtained at 0 GPa are in good agreement with the available experiment data and other theoretical results.The electronic properties calculated suggest that the electronic density of states（DOS）at the Fermi level decreases under high pressure.
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