本课题组专注于第一性原理的输运研究，包括Boltzmann框架下半经典的电子输运以及Landauer-Büttiker量子弹道输运。电子的输运性质和自旋的弛豫受各种机制影响，例如温度、杂质、界面等等，对这些因素的研究可以为自旋电子学器件的设计提供可靠的参数和合理的建议。目前本课题组拟开展磁振子自旋电子学的第一性原理研究，欢迎有志于从事计算凝聚态物理的同学加入。

北京师范大学第十七届青年教师基本功比赛本科生教学理工科组一等奖第一名

1. Magnetic damping anisotropy in the two-dimensional van der Waals material Fe3GeTe2 from firstprinciples, Pengtao Yang, Ruixi Liu, Zhe Yuan , and Yi Liu, Phys. Rev. B 106, 134409 (2022).

2. First-principles study of the crystal structure, electronic structure, and transport properties of NiTe₂ under pressure, Jian-Feng Zhang, Yawen Zhao, Kai Liu, Yi Liu, and Zhong-Yi Lu, Phys. Rev. B 104, 035111 (2021).

3. Gilbert damping in FeCo alloy: From weak to strong spin disorder,  Yawen Zhao, Yi Liu, Huimin Tang, Hanhui Jiang, Zhe Yuan, and Ke Xia, Phys. Rev. B 98, 174412 (2018).

4. Magnon-phonon relaxation in yttrium iron garnet from first principles, Yi Liu, Li-Shan Xie, Zhe Yuan, and Ke Xia, Phys. Rev. B 96, 174416 (2017).

5. Direct method for calculating temperature-dependent transport properties, Yi Liu, Zhe Yuan, R. J. H. Wesselink, Anton A. Starikov, Mark van Schilfgaarde, and Paul J. Kelly, Phys. Rev. B 91, 220405R (2015).

6. Interface enhancement of Gilbert damping from first principles, Yi Liu, Zhe Yuan, R. J. H. Wesselink, Anton A. Starikov, and Paul J. Kelly, Phys. Rev. Lett. 113, 207202 (2014).

7. Gilbert Damping in Noncollinear Ferromagnetic,  Zhe Yuan, Kjetil M D Hals, Yi Liu, Anton A Starikov, Arne Brataas, and Paul J Kelly, Phys. Rev. Lett. 113 266603 (2014).

8. Spin-Orbit-Coupling-Induced Domain-Wall Resistance in Diffusive Ferromagnets，Zhe Yuan, Yi Liu, Anton A Starikov, Paul J Kelly, and Arne Brataas, Phys. Rev. Lett. 109, 267201 (2012).

9. First-principles calculations of magnetization relaxation in pure Fe, Co, and Ni with frozen thermal lattice disorder, Yi Liu, Anton A Starikov, Zhe Yuan, and Paul J Kelly, Phys. Rev. B 84, 014412 (2011).

10. Ab initio investigation of magnetic transport properties by Wannier interpolation, Yi Liu, Hai-Jun Zhang, and Yugui Yao, Phys. Rev. B 79, 245123 (2009).

11. Fully Band-Resolved Scattering Rate in MgB2 Revealed by the Nonlinear Hall Effect and Magnetoresistance Measurements, Huan Yang, Yi Liu, Chenggang Zhuang, Junren Shi, Yugui Yao, Sandro Massidda, Marco Monni, Ying Jia, Xiaoxing Xi, Qi Li, Zi-Kui Liu, Qingrong Feng, and Hai-Hu Wen, Phys. Rev. Lett. 101, 067001 (2008).