主要利用第一性原理进行以下研究：

        铁电材料的铁电性能；

        多铁材料的铁电性与磁性；

        小周期莫尔结构的电子结构。

1、主持或参与的科研项目：

[1] 铁电性调控莫尔结构关联效应的第一性原理研究，国家自然科学基金青年项目，2024.01-2026.12，主持；

[2] 双钙钛矿卤化物中超长载流子寿命产生的机制研究与新材料开发，国家自然科学基金面上项目，2020.01-2023.12，参与；

[3] 离子无序诱导多铁性物理效应与铁性序耦合机制研究，国家自然科学基金面上项目，2019.01-2022.12，参与(结题)。

2、发表论文：

[15] L. Huang, C. F. Li, Y. S. Tang, L. Lin, W. J. Zhai, X. M. Cui, G. Z. Zhou, J. H. Zhang, Z. B. Yan, C. Chen, X. P. Jiang, C. L. Lu and J.-M. Liu, Magnetotransport around the Morin transition in α-Fe₂O₃ single crystals, Journal of Applied Physics 132, 163903 (2022). 

[14] C. F. Li, W. J. Zhai, Y. Q. Li, Y. S. Tang, J. H. Zhang, P. Z. Chen, G. Z. Zhou, X. M. Cui, L. Lin, Z. B. Yan, X. K. Huang, X. P. Jiang, and J.-M. Liu, Extremely flat band in antiferroelectric bilayer α-In₂Se₃ with large twist-angle, New Journal of Physics 23, 083019 (2021).

[13] C. F. Li, Y. Q. Li, Y. S. Tang, S. H. Zheng, J. H. Zhang, Y. Zhang, L. Lin, Z. B. Yan, X. P. Jiang, and J.-M. Liu, Band structure, ferroelectric instability, and spin–orbital coupling effect of bilayer α-In₂Se₃, Journal of Applied Physics 128, 234106 (2020).

[12] J. J. Feng, C. F. Li, C. L. Luo, H. Yang, A. H. Zhang, Q. Li, M. Guo, D. Gao, Z. Fan, D. Y. Chen, M. H. Qin, M. Zeng, X. S. Gao, Y. Lin, X. B. Lu and J.–M. Liu, Hall voltage reversal and structural phase transition in VO₂ thin films, Applied Physics Letters 116, 082106 (2020).

[11] H. L. Lin, K. L. Yang, P. Z. Chen, G. Z. Zhou, C. F. Li, S. H. Zheng, L. Lin, Z. B. Yan, X. P. Jiang, and J.-M. Liu, Suppression of vortex–antivortex structures by anti-trimer point defects in hexagonal manganites, Journal of Applied Physics 127, 194106 (2020).

[10] P. X. Zhou, S. H. Lu,C. F. Li, C. G. Zhong, Z. Y. Zhao, L. H. Qu, Y. Min, Z. C. Dong, N. Zhang, J.-M. Liu, Magnetism and hybrid improper ferroelectricity in LaMO₃/YMO₃ superlattices, Physical Chemistry Chemical Physics 21, 20132 (2019).

[9] Y. Zhang, J. J. Gong, C. F. Li, L. Lin, Z. B. Yan, S. Dong, and J.-M. Liu, Strain-Induced Slater Transition in Polar Metal LiOsO₃, Physica Status Solidi-Rapid Research Letters 13, 1900436 (2019).

[8] L. F. Chen, Y. Q. Li, C. F. Li, H. W. Wang, Z. Han, H. Ma, G. L. Yuan, L. Lin, Z. B. Yan, X. P. Jiang, and J. -M. Liu, Thickness dependence of domain size in 2D ferroelectric CuInP₂S₆ nanoflakes, AIP Advances 9, 115211 (2019).

[7] S. H. Zheng, J. J. Gong, Y. Q. Li, C. F. Li, Y. S. Tang, J. H. Zhang, L. Lin, Z. B. Yan, X. P. Jiang, S. W. Cheong, and J.-M. Liu, Abnormal dependence of multiferroicity on high-temperature electro-poling in GdMn₂O₅, Journal of Applied Physics 126, 174104 (2019).

[6] Y. S. Tang, S. M. Wang, L. Lin, C. Li, S. H. Zheng, C. F. Li, J. H. Zhang, Z. B. Yan, X. P. Jiang, and J.-M. Liu, Collinear magnetic structure and multiferroicity in the polar magnet Co₂Mo₃O₈, Physical Review B 100, 134112 (2019).

[5] C. F. Li, S. H. Zheng, H. W. Wang, J. J. Gong, X. Li, Y. Zhang, K. L. Yang, L. Lin, Z. B. Yan, S. Dong, and J.-M. Liu, Structural transitions in hybrid improper ferroelectric Ca₃Ti₂O₇ tuned by site-selective isovalent substitutions: A first-principles study, Physical Review B 97, 184105 (2018). 

[4] J. J. Gong, C. F. Li, Y. Zhang, Y. Q. Li, S. H. Zheng, K. L. Yang, R. S. Huang, L. Lin, Z. B. Yan, and J.-M. Liu, Interactions of charged domain walls and oxygen vacancies in BaTiO₃: a first-principles study, Materials Today Physics 6, 9-21 (2018).

[3] Y. Zhang, J. J. Gong, C. F. Li, L. Lin, Z. B. Yan, S. Dong, and J.-M. Liu, Possible origin of the absence of magnetic order in LiOsO₃: spin–orbit coupling controlled ground state, Physica Status Solidi-Rapid Research Letters 12, 1800396 (2018).

[2] C. X. Zhang, K. L. Yang, P. Jia, H. L. Lin, C. F. Li, L. Lin, Z. B. Yan, and J.-M. Liu, Effects of temperature and electric field on order parameters in ferroelectric hexagonal manganites, Journal of Applied Physics 123, 094102 (2018).

[1] X. Li, L. Yang, C. F. Li, M. F. Liu, Z. Fan, Y. L. Xie, C. L. Lu, L. Lin, Z. B. Yan, Z. Zhang, J. Y. Dai, J.-M. Liu, and S. W. Cheong, Ultra-low coercive field of improper ferroelectric Ca₃Ti₂O₇ epitaxial thin films, Applied Physics Letters 110, 042901 (2017).

主要承担本科生课程《大学物理B》、《凝聚态物理学》以及研究生课程《凝聚态物理导论》、《密度泛函理论及应用》的教学工作。