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.Nanomaterials2023, 13, 1712. 2. Xin Wang, Xiaoyue Zhang, Liwei Liu, Tielei Song, Zhifeng Liu and Xin Cui*. First-Principles Study of B16N16Cluster-Assembled Porous.Nanomaterials2023, 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 Omega2023, 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 C2022, 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 Horizons2021, 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, ZhifengLiu. Strain‐Induced Ideal Topological Semimetal in Ort-B32Holding 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 B2020, 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 C16cage-like cluster.Journal of Physics: Condensed Matter2020, 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 Compounds2019, 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 Letters2019, 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 C2018, 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 C2017, 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 B2015, 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 ies2015, 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 B2011, 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 Letter2010, 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 Communications2009,149, 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. |