1. Yuxin Zou, Xin Wang, Liwei Liu, Tielei Song, Zhifeng Liu and Xin Cui*. First-Principles Study on Mechanical, Electronic, and Magnetic Properties of Room Temperature Ferromagnetic Half-Metal MnNCl Monolayer. Nanomaterials 2023, 13, 1712. 2. Xin Wang, Xiaoyue Zhang, Liwei Liu, Tielei Song, Zhifeng Liu and Xin Cui*. First-Principles Study of B16N16 Cluster-Assembled Porous. Nanomaterials 2023, 13, 1927. 3. Yuxin Zou, Ningjun Wu, Tielei Song, Zhifeng Liu, and Xin Cui*. From Topological Nodal-Line Semimetal to Insulator in ABW-Ge4: A New Member of the Germanium Allotrope. ACS Omega 2023, 8, 27231-27237. 4. Xiaoyue Zhang, Zhifeng Liu, Tielei Song, and Xin Cui*. ScB24N24: A New Low-Density Allotrope of BN. Journal of Physical Chemistry C 2022, 126, 12836-12844. 5. Zhifeng Liu, Lingjun Li, Leyuan Cui, Yongting Shi, Tielei Song, Jiangtao Cai, Xin Cui, Xue Jiang and Jijun Zhao. Intrinsic spin–valley-coupled Dirac state in Janus functionalized β-BiAs monolayer. Nanoscale Horizons 2021, 6, 283-289. 6. Yongting Shi, Lingjun Li, Xin Cui, Tielei Song, Zhifeng Liu. MnNBr Monolayer: A High-Temperature Ferromagnetic Half-Metal with Type-II Weyl Fermions. Physica Status Solidi (RRL), 2021, 2100115. 7. Shengru Han, Chaoyu Li, Leyuan Cui, Xin Cui, Tielei Song, Zhifeng Liu. Strain‐Induced Ideal Topological Semimetal in Ort-B32 Holding Parallel Arc-Like Nodal Lines and Anisotropic Multiple Weyl Fermions. Physica Status Solidi (RRL) 2021, 15, 2100324. 8. Leyuan Cui, Tielei Song, Jiangtao Cai, Xin Cui, Zhifeng Liu, Jijun Zhao. Three-dimensional borophene: A light-element topological nodal-line semimetal with direction-dependent type-II Weyl fermions. Physical Review B 2020, 102, 155133. 9. Ding Zhao, Leyuan Cui, Jiangtao Cai, Yanqing Guo, Xin Cui, Tielei Song, Zhifeng Liu. Palgraphyne: A Promising 2D Carbon Dirac Semimetal with Strong Mechanical and Electronic Anisotropy. Physica Status Solidi (RRL), 2020, 14, 1900670. 10. Yanqing Guo, Leyuan Cui, Ding Zhao, Xin Cui, Tielei Song, Zhifeng Liu. T-C56: a low-density transparent superhard carbon allotrope assembled from C16 cage-like cluster. Journal of Physics: Condensed Matter 2020, 32 (16), 165701. 11. Sharina Li, Xin Cui*, Zhi-Feng Liu, Tie-Lei Song. Phase transition, magnetic and electronic properties of iron mononitride: First-principles calculations. Journal of Alloys and Compounds 2019, 771, 322-326. 12. Zhifeng Liu, Hongli Xin, Li Fu, Yingqiao Liu, Tielei Song, Xin Cui, Guojun Zhao, and Jijun Zhao. All-Silicon Topological Semimetals with Closed Nodal Line. Journal of Physical Chemistry Letters 2019, 10, 244-250. 13. Ruotong Zhang, Tielei Song, Zhifeng Liu, and Xin Cui. Cluster-Assembled Semiconductor CdO Polymorph with Good Ductility, High Carrier Mobility, and Promising Optical Properties. Journal of Physical Chemistry C 2018, 122, 24287-24294. 14. Junyan Liu, Zhifeng Liu, Tielei Song and Xin Cui. Computational search for two-dimen sional intrinsic half-metals in transition-metal dinitrides. Journal of Materials Chemistry C 2017, 5, 727-732. 15. Nasantogtokh Sarantuya, Xin Cui*, and Zhi Ping Wang. First-principles study of hydrogen diffusion in transition metal palladium. Modern Physics Letters B 2015, 29(13), 1550064. 16. Wulijibilige Bao, Xin Cui* and Zhi-Ping Wang. First-principles study of hydrogen diffusion in transition metal Rhodium. Journal of Physics: Conference Ser ies 2015, 574, 012047. 17. Xin Cui*, Xi-Xia Liang, Jian-Tao Wang, Guo-Zhong Zhao. Ab initio studies on the mechanic and magnetic properties of PdHx. Chinese Physics B 2011, 20(2), 026201. 18. Xin Cui*, Jian-Tao Wang, Xi-Xia Liang, Guo-Zhong Zhao. Mechanical and magnetic properties of Rh and RhH: first-principles calculations. Chinese Physics Letter 2010, 27(2), 027101. 19. Xin Cui*, Jian-Tao Wang, Xi-Xia Liang, Guo-Zhong Zhao. Ab initio studies on the structural and magnetic properties of RhH. Solid State Communications 2009, 149, 322. 20. 崔鑫, 吴健, 应力条件下BN纳米管结构、力学和电学性质的第一性原理研究,清华学报 2005, 45(6), 828. |