师习之,博士,湘潭大学物理与光电工程学院,讲师;

2005-2009年,湘潭大学物理学学士;2015-2021年,湘潭大学凝聚态物理博士;

近年来与其合作者(湘潭大学何朝宇教授)结合群论、图论和随机策略发展了全新的晶体结构搜索方法和软件RG2(登记号:2020SR0295721;网址:www.crystal-rg2.cn),基于这一创新性方法和软件(RG2)共发表SCI学术论文20余篇(包括1篇二作PRL, 1篇一作PRB, 2篇共一PRB,1篇通信PRB, 1篇一作JPCL,1篇一作JPD和1篇共一Physica E等),相关研究成果被Phys. Rev. Lett., Phys. Rev. X.和Phys. Rev. B.等重要学术期刊引用560多次。

主要研究方向:

2015-2017,第一性原理方法对磷烯边缘重构结构及物性进行预测;

2015-2018,第4族元素通用紧束缚代码(能带)编写及参数拟合;

2017-2021,基于周期性图论和随机策略的晶体结构预测方法及其应用;

2022-:准晶体格子及准晶体结构原子模型搜索方法探索;

发表的研究论文:

1. X. Z. Shi,Chaoyu He*,C. J. Pickard*, C. Tang* and J. Zhong, Stochastic generation of complex crystal structures combining group and graph theory with application to carbon, Physical Review B 97,014104 (2018), SCI 二区TOP期刊,IF=3.84, (开发晶体结构搜索代码RG2)被PRL, PRX, NSR, NC和PRB等引用192次. (被选中Kaleidoscope)

2. Chaoyu He*, X. Z. Shi, S. J. Clark, J. Li, C. J. Pickard*, T. Ouyang, C. Zhang, C. Tang and J. Zhong, Complex Low Energy Tetrahedral Polymorphs of Group IV Elements from First Principles, Physical Review Letters 121, 175701 (2018), SCI 一区 TOP期刊,IF=8.84, 被PRB等引用130多次.

3. H. Yin (本科生), X. Z. Shi (共同一作), Chaoyu He*, M. Martinez-Canales*, J. Li, C. J. Pickard*, C. Tang, T. Ouyang, C. Zhang and J. Zhong, Stone-Wales graphene: A two-dimensional carbon semimetal with magic stability, Physical Review B (R) 99, 041405 (2019), SCI 二区TOP期刊,IF=3.84, (指导15级本科生参与科研), 被PRB等引用150多次.

4. Z. H. Gong (本科生), X. Z. Shi (共同一作), J. Li*, S. F. Li, Chaoyu He*, T. Ouyang, C. Zhang, C. Tang and J. Zhong, Theoretical prediction of a low-energy Stone-Wales graphene with intrinsic type-III Dirac-cone, Physical Review B 101(15), 155427 (2020), SCI 二区TOP期刊,IF=3.84, (指导16级本科生参与科研),被Carbon等引用88次.

5. X. Z. Shi, ShiFang Li, Jin Li, Tao Ouyang, ChunXiao Zhang, Chao Tang, Chaoyu He*, JianXin Zhong, High-Throughput Screening of Two-Dimensional Planar sp2 Carbon Space Associated with a Labeled Quotient Graph, Journal of Physical Chemistry Letters, 12, 11511 (2021) ,SCI 一区TOP期刊,IF=6.71,被PRB等引用60多次.

6. Luneng Zhao(本科生), X. Z. Shi (共同一作), Jin Li*, Tao Ouyang, ChunXiao Zhang, Chao Tang, Chaoyu He* and JianxXin Zhong, New structure candidates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride, Physica E, 128, 114535 (2021) , SCI 二区,IF=3.57,被PRB等引用10多次.

7. X. .Z. Shi,Chaoyu He*,T. OuYang,C. Zhang,C. Tang* and J. Zhong, First-principles prediction of a low energy edge-reconstruction for zigzag PNRs, Journal of Physics D: Applied Physics 50, 065304 (2017).

8. Yalan Wei, JiaXin Li, XhiZhi Shi, Jin Li and Choayu He*, First-principles study on the electronic, mechanical and optical properties for silicon allotropes in hexagonal 2–7 stacking orders, Scripta Materialia, 219,114843, 2022.

9. Jiangping Yan, Xizhi Shi* and Chaoyu He, Complete catalog of 1:2:1 B/C/N distribution in diamond supercells, PHYSICAL REVIEW B 112, 014105, 2025.

10. Yalan Wei, Shifang Li, Xizhi Shi* and Chaoyu He, Low-energy tetrahedral networks for carbon and silicon from (2+1)-regular bipartite-like graphs, IUCrJ,12,2025, https://doi.org/10.1107/S2052252525005810.