General

Peng-Fei Liu, Associate Research, Institute of High Energy Physics

Research Areas

  • Theory-guided design and characterization of advanced materials, including superconductors, topological materials, thermoelectric materials, and materials for photovoltaic applications.
  • Rationalize rules from first-principles calculations to optimize materials and enhance their performance.
  • Ab initio phonon calculations for understanding thermal transportation, phase transformation, carrier mobility, phonon anharmonicity, and electron-phonon coupling in energy materials.

Education

  • 2012.9-2017.7, Ph.D. in Materials Physics and Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, China.

  • 2008.9-2012.6, B.S. in Chemistry, Henan University, China.


Experience

  • 2023.1-Present, Associate Research Fellow, Institute of High Energy Physics, Chinese Academy of Sciences, China.
  • 2017.7-Present, Assistant Research Fellow, Institute of High Energy Physics, Chinese Academy of Sciences, China.
  • 2018.6-2018.7, Visiting Scholar, Beijing Computational Science Research Center, China.

Publications

  • Two-gap superconductivity in a Janus MoSH monolayer.
    Peng-Fei Liu†, Feipeng Zheng†, Jingyu Li, Jian-Guo Si, Liuming Wei, Junrong Zhang, and Bao-Tian Wang*,
    Phys. Rev. B, 2022, 105, 245420. 10.1103/PhysRevB.105.245420
  • Type-II Dirac cones and electron-phonon interaction in monolayer biphenylene from first-principles calculations.
    Peng-Fei Liu, Jingyu Li, Chi Zhang, Xin-Hai Tu, Junrong Zhang, Ping Zhang, Bao-Tian Wang*, and David J. Singh,
    Phys. Rev. B, 2021, 104, 235422. 10.1103/PhysRevB.104.235422
  • First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe.
    Peng-Fei Liu, Jingyu Li, Xin-Hai Tu, Hang Li, Junrong Zhang, Ping Zhang, Qiang Gao*, and Bao-Tian Wang*,
    Phys. Rev. B, 2021, 103, 094306. 10.1103/PhysRevB.103.094306
  • Prediction of superconductivity and topological aspects in single-layer β-Bi2Pd.
    Peng-Fei Liu†, Jingyu Li†, Xin-Hai Tu, Huabing Yin, Baisheng Sa, Junrong Zhang, David J. Singh*, and Bao-Tian Wang*,
    Phys. Rev. B, 2020, 102, 155406. 10.1103/PhysRevB.102.155406
  • Ultralow Thermal Conductivity from Transverse Acoustic Phonon Suppression in Distorted Crystalline α-MgAgSb.
    Xiyang Li†, Peng-Fei Liu†, Enyue Zhao, Zhigang Zhang, Tatiana Guidi, Manh Duc Le, Maxim Avdeev, Kazutaka Ikeda, Toshiya Otomo, Maiko Kofu, Kenji Nakajima, Jie Chen, Lunhua He, Yang Ren, Xun-Li Wang, Bao-Tian Wang*, Zhifeng Ren*, Huaizhou Zhao*, and Fangwei Wang*,
    Nat. Commun., 2020, 11, 942. 10.1038/s41467-020-14772-5
  • First-principles calculations of the ultralow thermal conductivity in two-dimensional group-IV selenides.
    Peng-Fei Liu, Tao Bo, Juping Xu, Wen Yin, Junrong Zhang, Fangwei Wang, Olle Eriksson, and Bao-Tian Wang*,
    Phys. Rev. B, 2018, 98, 235426. 10.1103/PhysRevB.98.235426