研究领域
1．金属材料的结构、相变、电子、声子、力学及热力学性质的研究
2．凝聚物质的分子结构和电磁性质研究
3. 石墨烯和相关制品的研究
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1. High-Pressure Third-Order Elastic Constants of MgO Single Crystal: First-Principles Investigation, Z. Naturforsch, 74 (2019) 1.
2. 高温高压下立方氮化硼和六方氮化硼的结构、力学、热力学、电学以及光学性质的第一性原理研究，物理学报, 68 (2019) 077102.
3. High-pressure structure and elastic properties of Tantalum single crystal: First principles investigation, Chin. Phys. B, 25 (2016) 126103.
4. Nonlinear elastic response and anharmonic properties of MgO, single crystal: First-principles investigation, Comput. Mater. Sci., 124 (2016) 124.
5. First-principles investigation of structural, mechanical, electronic and phonon properties of NaZnSb, Frontiers of Physics, 10 (2015) 107101.
6. Structural, elastic, thermodynamic, electronic properties and phase transition in Half-Heusler alloy NiVSb at high pressures, Comput. Mater. Sci., 96 (2015) 72.
7. Probing the structural and electronic properties of boron cluster anions doped with one or two aluminum atoms, Comput. Theor. Chem., 1049 (2014) 67.
8. Structural, electronic, and magnetic properties of boron cluster anions doped with aluminum, Chin. Phys. B, 21 (2012) 043102.
9. Accurate calculations of the high-pressure elastic constants based on the first-principles, Chin. Phys. B, 24 (2015) 086201.
10. Equation of state, nonlinear elastic response and anharmonic properties of the diamond-cubic Silicon and Germanium: first-principles investigation, Zeitschrift für Naturforschung A, 70 (2015) 403.
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