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• W2602408596 abstract "Abstract First principles calculations of the structural and electronic properties of MgZnPt2 have been performed using the Quantum ESPRESSO (QE) package based on the density functional theory (DFT). The electronic band structure is computed for MgZnPt2 at (0 K, 0 GPa), (5500 K, 330 GPa), and (6000 K, 360 GPa). The band structures at (0 K, 0 GPa) and at extremely high temperatures and pressures exhibit a metallic nature. The electronic bands become more and more dispersive with increasing temperature and pressure. In the density of states (DOS) the effect of high temperature and pressure is visible in the broadening of the peaks and the decrease in their height. The charge density shows that more and more electrons become free to participate in conduction as the temperature and pressure increases." @default.
• W2602408596 created "2017-04-07" @default.
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• W2602408596 date "2017-06-01" @default.
• W2602408596 modified "2023-09-25" @default.
• W2602408596 title "Electronic properties of MgZnPt 2 at extremely high temperatures and pressures" @default.
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• W2602408596 doi "https://doi.org/10.1016/j.cjph.2017.03.009" @default.
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