主持项目情况 [1] 双层钙钛矿体系中具有高居里温度的半金属材料的理论探索，项目来源：国家自然科学基金青年科学基金，经费：23万，2018.1-2020.12（结项） [2] 双层钙钛矿过渡金属氧化物半金属性质的理论探索，项目来源：黑龙江省教育厅青年学术骨干项目，经费：2万，2017.1-2018.6（结项） [3] 钙钛矿材料绝缘体—半金属转变的第一性原理研究，项目来源：黑龙江省教育厅青年创新人才项目，经费：5万，2019.1-2021.8（结项） [4] 双钙钛矿材料磁光克尔效应的理论探索，项目来源：黑龙江省教育厅面上项目，经费：1万，2022.1-2023.8（结项） 发表SCI论文 [1] N. N. Zu, M. Zhang, J. Y. Hao, R. Li, G. M. Yang, First-principles investigations on the electronic structure, optical properties, and giant magnetic-optical Kerr effect in double-perovskite Ba2NiBO6 (B = Os, Ir), Journal of Physics and Chemistry of Solids, 184,111731, 2024 [2] N. N. Zu, Q. Zhang, J. Y. Hao, M. Zhang, J. J. Li, X. M. Liu, R. Li, First-principles study on giant magneto-optical Kerr effect in double perovskites Sr2BB′O6 (B = Cr, Mo, B′ = W, Re, Os), Journal of Solid State Chemistry, 312,123274, 2022 [3] N. N. Zu, Q. Zhang, M. Zhang, J. Y. Hao, X. M. Liu, R. Li, First-principles study on electronic structure, optical properties and doping-induced half metallicity in double perovskite Bi2CuCrO6, Journal of Solid State Chemistry, 303,122521, 2021 [4] N. N. Zu, R. Li, W. Luo, D. S. Liu, X. M, Liu, Y. F. Liu, Ab initio study on Pb2FeOsO6 and possible half metallicity via Na doping, Journal of Magnetism and Magnetic Materials, 491,165553, 2019 [5] N. N. Zu, R. Li, R. B. Ai, Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca2AOsO6 (A = Cr, Mo), Journal of Magnetism and Magnetic Materials, 467,145-149, 2018 [6] N. N. Zu, R. Li, Y. H. Zheng, L. Chen, First-Principles Calculation for the Half Metallic Properties of La2NbMnO6, Chinese Physics Letters, 34,107101, 2017 [7] N. N. Zu, R. Li, Q. N, Li, J. Wang, Electronic and magnetic properties of Sr2MoBO6 (B=W, Re,Os): Investigation of possible half metal, Journal of Magnetism and Magnetic Materials, 399, 72-76, 2016 [8] N. N. Zu, J. Wang, Y. Wang, Z. J. Wu, Half metallicity in Sr2CrOsO6 via Na doping, Journal of Alloys and Compounds, 636，257-260, 2015 [9] N. N. Zu, J. Wang, Y. Wang, Z. J. Wu, Insulator-half metal transition driven by hole doping: a density functional study of Sr-doped La2VMnO6, Dalton Transactions, 43, 8698-8702, 2014 [10] N. N. Zu, J. Wang, Z. J. Wu, Pressure-induced half-metallic ferrimagnetism in La2VMnO6, The Journal of Physical Chemistry C, 117， 7231-7235, 2013 [11] K. M. Lim, C. Kim, J. Song, T. Yu, W. Lim, K. Song, P. Wang, N. N. Zu*, J. Ko, Enhancing the performance of organic dye-sensitized solar cells via a slight structure modification, The Journal of Physical Chemistry C, 115(45), 22640-22646, 2011 [12] N. N. Zu, Z. W. Dai, Z. Q. Cui, Y. Tang, Numerical simulation on high-power laser-diode end-pumped CW Nd3+:GdVO4 laser, J. Opt. Soc. Am. B 25, 2092-2095, 2008 [13] N. N. Zu, H. G. Yang, Z.W. Dai, Different processes responsible for blue pumped, ultraviolet and violet luminescence in high-concentrated Er3+:YAG and low-concentrated Er3+:YAP crystals, Physica B 403, 174-177, 2008 [14] N. N. Zu, G. J. Sun, Z. W. Dai, Numerical simulation of end-pumped CW Nd3+:GdVO4 laser at 1063 nm, Chin. Phys. B 17(5), 1809-1816, 2008 发表核心论文 [1] 郝久源，张敏，刘派，李瑞，祖宁宁*，双钙钛矿卤化物Cs2AgFeX6( X=Cl，Br，I) 电子结构和光学性质的第一性原理研究, 原子与分子物理学报, 41(01)，016004, 2024 [2] 刘派，祖宁宁*，李瑞，双钙钛矿氧化物A2BOsO6 (A=Sr，Ca; B=Cr，Mo) 磁光克尔效应的第一性原理研究, 人工晶体学报, 53(02), 267-275, 2024 [3] 张琪，张敏，郝久源，李瑞，祖宁宁*，双层钙钛矿氧化物Sr2CrBO6 (B = Os, Re, W)电子结构和光学性质的第一性原理研究, 原子与分子物理学报, 39(04), 163-170, 2022 [4] 张琪，郝久源，张敏，李瑞，祖宁宁*，Sr2MoBO6 (B = Os, Re, W)的电子结构与光学性质的第一性原理, 人工晶体学报, 50(06),1029-1035, 2021 授权专利1项： [1] 祖宁宁，张琪，李建军，罗旺，刘晓军，李瑞，一种双钙钛矿型自旋电子学材料及其制备方法，国家发明专利，专利号（ZL202011005895.X），2023
|
