For all the calculated physical properties, the results of phonon spectra, state density, specific heat and Debye temperature are better than that of Griinsisen constant and expansion coefficient.

 
  • 在所预测的基本物性中,声子谱、态密度、比热和德拜温度的计算值与实验结果符合得较好,而格律乃森常数和热膨胀系数的计算值与实验结果符合得稍差。
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