共被期刊论文引用了3次
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| 1 | LDA+U calculation of structural and thermodynamic properties of Ce2O3显示文摘 | Bo Zhu Yan Cheng Zhen-Wei Niu Meng Zhou Min Gong | 2014 | Frontiers of physics2014，9，4： | 1 |
| 2 | First-principles investigation of structural, mechanical, electronic, and bonding properties of NaZnSb显示文摘结构,机械,电子,并且 NaZnSb 的结合的性质和阶段转变基于 ab initio 飞机波浪 pseudopotential 密度用概括坡度近似被探索功能的 theory.With 伪泛音 Debye 模型的帮助,我们探查 Gr ?????? 舀 ? | Jian-Bing Gu Chen-Ju Wang Lin Zhang Yan Cheng Xiang-Dong Yang | 2015 | Frontiers of physics2015，10，4： | 0 |
| 3 | β-PtO2: Phononic,thermodynamic,and elastic properties derived from first-principles calculations显示文摘β-PtO2 is a useful transition metal dioxide,but its fundamental thermodynamic and elastic properties remain unexplored.Using first-principles calculations,we systematically studied the structure,phonon,thermodynamic and clastic properties of β-PtO2.The lattice dynamics and structural stability of β-PtO2 under pressure were studied using the phonon spectra and vibrational density of states.The vibrational frequencies of the optical modes of β-PtO2 increase with elevating pressure;this result is comparable with the available experimental data.Then,the heat capacities and thoir pressure responses were determined based on the phonon calculations.The pressure dependence of the Debye temperature was studied,and the results were compared in two distinct aspects.The elastic moduli of β-PtO2 were estimated through the Voigt-Reuss-Hill approximation.The bulk modulus of β-PtO2 increases linearly witli pressure,but the shear modulus is nearly independent of pressure.Our study revealed that the clastic stiffness coefficients C44,C55 and C66 play a primal role in the slow variation of the shear modulus. | 陈泉 李伟 杨勇 | 2019 | Frontiers of physics2019，14，5： | 0 |
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