Ye, Linhui
Associate Professor
Research Interests: Electronic structure method
Office Phone: 86-10-6275 5807
Email: yelh@pku.edu.cn
Ye, Lin-Hui is an associate professor in Department of Electronics, School of EECS. He obtained his B.Sc. from Wuhan University in 1991, and Ph.D. from Technical Institute of Physics and Chemistry, Chinese Academy of Sciences in 2003, respectively. During 2003-2008 he conducted post-doctoral research in Northwestern University. His research interest is developing FLAPW (Full-Potential Linearized Augmented Plane Wave) method for first principles electronic structure calculations.
Dr. Ye has published 21 papers. For 10 of them published on Physical Review B, Applied Physics Letters and Journal of Chemical Physics which add up to a total citation of more than 400, he is the first or the only author.
Dr. Ye has been one of the major developers of the NU-FLAPW code：
1) He has implemented two phonon methods, one allows for computing phonon dispersions over the full Brillouin zone, and the other for the normal modes at the zone center with group theoretical analysis of Raman and infrared activities.
2) He has implemented external electric field by the capacitor approach which has the real, rather than fictitious (such as saw-tooth like), shape, with the improvement that his method does not require the addition of compensation charge to the solid.
3) He has developed the optimal method of computing kinetic energy density for all meta-GGA functionals. His method maintains full accuracy of the kinetic energy density, while the computational cost is as small as nearly negligible.
4) He has developed a realistic method of using long-ranged potentials for solid surface calculations based on the authentic slab geometry, which has thus overcome all the difficulties of the supercell approach. His method is highly accurate, with the computational cost no higher than the same slab calculation by LDA/GGA
5) As the first practical application of his long-ranged potential method, he has calculated the ionization potential of semiconductors to similar accuracy as GW approximation, but with substantially reduced computational cost.
6) He has made numerous other developments to the NU-FLAPW code which cannot be reflected in publication. He has developed a full set of visualization modules which allow for plotting the crystal structure and the 1D/2D/3D density, potential and wave function. He has extended the authentic slab geometry to arbitrary space group symmetries (from the limit of symmorphic groups only) and for polar slabs of arbitrary thickness (from the limit of about 20? only). Due to the scarcity of support to methodology development for solid state electronic structure nationwide, Dr. Ye accomplished all the developments by himself alone.
7) He also participates in studies of physics problems. He was the first to propose non-magnetic doping to fabricate dilute magnetic semiconductors to avoid the magnetic precipitation problem. He is also among the earliest to realize that the magnetism not only depends on the type of the dopants, but also on their charged states. To explain the observation of a second exciton peak in the single-walled carbon nanotubes grown on silicon dioxide, He proposed a theoretical model which is consistent with all observed features of the new peak.
