Crystal Structure and Thermodynamic Properties of Th2Co3Al9 and U2Co3Al9

被引:0
作者
Su, Wei [1 ,2 ]
Qian, Ping [1 ,2 ]
Shen, Jiang [1 ]
Chen, Nan-Xian [1 ,3 ]
机构
[1] Beijing Univ Sci & Technol, Inst Appl Phys, Beijing 100083, Peoples R China
[2] Beijing Univ Chem Technol, Sch Phys, Beijing 100029, Peoples R China
[3] Tsinghua Univ, Dept Phys, Beijing 100084, Peoples R China
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中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
An investigation of the structural properties of Th2Co3Al9 and U2Co3Al9 compounds was performed using a series of interatomic pair potentials obtained through the lattice inversion method. Calculated results show that the lattice parameters are in good agreement with the experimental values. Moreover, the phonon density of states of Th2Co3Al9 and U2Co3Al9, their corresponding specific heats, vibrational entropies, and Debye temperatures were calculated, and a qualitative analysis with pair potentials was also carried out.
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页码:739 / 747
页数:9
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