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RIKEN Center for Emergent Matter Science Computational Materials Function Research Unit

Unit Leader: Yong Xu (Ph.D.)

Research Summary

Yong  Xu(Ph.D.)

We are a research group on theoretical and computational condensed-matter and materials physics. Our main research interest is to understand/predict unusual quantum phenomena and novel material properties, based on first-principles electronic structure calculations. In particular, we focus on exploring the electronic, thermal, optical and magnetic properties of low-dimensional systems (e.g. layered materials, materials surfaces and interfaces) as well as materials with non-trivial topological order. The primary goal of our research is to design advanced functional materials that can be used for low-dissipation electronics, high-performance thermoelectricity and high-efficiency solar cell. We are also interested in developing theoretical methods for studying quantum thermal, electronic, and thermoelectric transport at the mesoscopic scale.

Main Research Fields

  • Interdisciplinary Science & Engineering


  • Topological quantum matters
  • Thin films and interfaces
  • Thermoelectric effect
  • First-principles calculations
  • Theoretical materials design

Selected Publications

Papers with an asterisk(*) are based on research conducted outside of RIKEN.

  • 1.Molle, A., Goldberger, J., Houssa, M., Xu, Y., Zhang, S.-C., and Akinwande, S.-C.:
    "Buckled Two-dimensional Xene sheets"
    Nature Mater. 16, 163 (2017).
  • 2.* Zhu, F., Chen, W.-J., Xu, Y., Gao, C.-L., Guan, D.-D., Liu, C., Qian, D., Zhang, S.-C., and Jia, J.-F.:
    "Epitaxial Growth of Two-Dimensional Stanene"
    Nature Mater. 14, 1020 (2015).
  • 3.* Xu, Y., Gan, Z., and Zhang, S.-C.:
    "Enhanced Thermoelectric Performance and Anomalous Seebeck Effects in Topological Insulators"
    Phys. Rev. Lett. 112, 226801 (2014).
  • 4.* Yuan, H., Wang, X., Lian, B., Zhang, H., Fang, X., Shen, B., Xu, G., Xu, Y., Zhang, S.-C., Hwang, H. Y., and Cui, Y.:
    "Generation and Electric Control of Spin-Valley-Coupled Circular Photogalvanic Current in WSe2"
    Nature Nanotech. 9, 851 (2014).
  • 5.* Zhang, H., Xu, Y., Wang, J., and Zhang, S.-C.:
    "Quantum Spin Hall and Quantum Anomalous Hall States Realized in Junction Quantum Wells"
    Phys. Rev. Lett. 112, 216803 (2014).
  • 6.* Zhang, H., Wang, J., Xu, G., Xu, Y., and Zhang, S.-C.:
    "Topological States in Ferromagnetic CdO/EuO Superlattices and Quantum Wells"
    Phys. Rev. Lett. 112, 096804 (2014).
  • 7.* Xu, Y., Li, Z., and Duan, W.:
    "Thermal and Thermoelectric Properties of Graphene"
    Small 10, 2182 (2014).
  • 8.* Xu, Y., Yan, B., Zhang, H., Wang, J., Xu, G., Tang, P., Duan, W., and Zhang, S.-C.:
    "Large-gap quantum spin Hall insulators in tin films"
    Phys. Rev. Lett. 111, 136804 (2013).
  • 9.* Xu, Y., Hofmann, O. T., Schlesinger, R., Winkler, S., Frisch, J., Niederhausen, J., Vollmer, A., Blumstengel, S., Henneberger, F., Koch, N., Rinke, P., and Scheffler, M.:
    "Space-charge transfer in hybrid inorganic/organic systems"
    Phys. Rev. Lett. 111, 226802 (2013).
  • 10.* Wang, J., Lian, B., Zhang, H., Xu, Y., and Zhang, S.-C.:
    "Quantum Anomalous Hall Effect with Higher Plateaus"
    Phys. Rev. Lett. 111, 136801 (2013).

Related Links

Lab Members

Principal investigator

Yong Xu
Unit Leader

Contact Information

Room B408
Department of Physics, Tsinghua University, Beijing, 100084, China
Email: yong.xu [at] riken.jp