Liqin Ke, Ph.D.
Staff Scientist, Principal Investigator
Division of Materials Science & Engineering
Ames Laboratory, U.S. Department of Energy, Ames, Iowa 50011

Emai:
Phone: (515) 294-7892

Research

Computational materials science and solid-state physics. Developing and applying electronic structure methods to understand and predict materials’ electrical, magnetic, and optical properties (EMOP).

Selected recent works

[7] Interplay between magnetism and band topology in Kagome magnets RMn\(_6\)Sn\(_6\)
Y. Lee, R. Skomski, X. Wang, P. Orth, A. Pathak, B. N. Harmon, R. J. McQueeney, I. I. Mazin, Liqin Ke
arXiv:2201.11265 (Under review by Phys. Rev. X)

[6] Competing magnetic energy scales in the topological flat-band ferrimagnet TbMn\(_6\)Sn\(_6\)
S. X. M. Riberolles, Tyler J. Slade, D. L. Abernathy, G. E. Granroth, Bing Li, Y. Lee, P. C. Canfield, B. G. Ueland, Liqin Ke, R. J. McQueeney
Phys. Rev. X (In Press, 2022)

[5] Electron correlation effects on exchange interactions and spin excitations in 2D van der Waals materials
Liqin Ke and Mikhail I. Katsnelson
npj Comput Mater 7, 4 (2021)

[4] Self-consistently renormalized spin-wave theory of layered ferromagnets on the honeycomb lattice
V. V. Mkhitaryan and Liqin Ke
Phys. Rev. B 104,064435 (2021)

[3] Role of nonlocality in exchange correlation for magnetic two-dimensional van der Waals materials
Y. Lee, Takao Kotani, and Liqin Ke
Phys. Rev. B Rapid communication 101,241409 (2020)

[2] Intersublattice magnetocrystalline anisotropy using a realistic tight-binding method based on maximally localized Wannier functions
Liqin Ke
Phys. Rev. B 99, 054418 (2019)

[1] Band-filling effect on magnetic anisotropy using a Green’s function method
Liqin Ke and Mark van Schilfgaarde
Phys. Rev. B 92,014423 (2015)