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Electronic thermal pressure and equation of state of gold at high temperature and high pressure

机译:Electronic thermal pressure and equation of state of gold at high temperature and high pressure

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摘要

We calculate the electronic thermal pressure of Au at temperatures up to 20 000 K for four compressions eta=1-V/V-0=0.0, 0.12, 0.24, and 0.36 (where V is the volume and V-0 the ambient volume), using the uniform electron gas model with the random-phase approximation for the exchange-correlation potential. We show the isochoric electronic thermal pressure increases essentially in proportion to the square of temperature T-2, which is in contrast to the result from the usual Mie-Gruneisen-Debye-type treatment where the isochoric thermal pressure increases linearly with T above the Debye temperature. We find the isochoric electronic thermal pressure difference from 300 K is relatively insensitive to compression eta, and is insignificant at temperatures less than a few thousand K, having the values of 0.087, 0.549, and 2.065 GPa at T=2000, 5000, and 10 000 K, respectively, at eta=0.0. The accuracy of previously proposed T-P-V equations of state of Au is discussed in relation to their use as pressure calibration standards at high temperature and high pressure. (C) 2003 American Institute of Physics. References: 22

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