633 citations · 2.3k across the 23 of their papers we have counts for
23 papers
The mechanism of the irradiation synergistic effect of Silicon bipolar junction transistors explained by multiscale simulations of Monte Carlo and excited-state first-principle calculations
Zeng-hui Yang, Yang Liu, Ning An +1
Neutron and -ray irradiation damages to transistors are found to be non-additive, and this is denoted as the irradiation synergistic effect (ISE). Its mechanism is not well-unde…
Second-order perturbative correlation energy functional in the ensemble density-functional theory
Zeng-hui Yang
We derive the second-order approximation (PT2) to the ensemble correlation energy functional by applying the Görling-Levy perturbation theory on the ensemble density-functional the…
Emerging Oscillating Reactions at the Insulator/Semiconductor Solid/Solid Interface via Proton Implantation
Dechao Meng, Guanghui Zhang, Ming Li +15
Most oscillating reactions (ORs) happen in solutions. Few existing solid-based ORs either happen on solid/gas (e.g., oxidation or corrosion) or solid/liquid interfaces, or at the a…
Energy scaling law for nanostructured materials
Jianmin Tao, Yang Jiao, Yuxiang Mo +4
The equilibrium binding energy is an important factor in the design of materials and devices. However, it presents great computational challenges for materials built up from nanost…
Full self-consistency in Fermi-orbital self-interaction correction
Zeng-hui Yang, Mark R. Pederson, John P. Perdew
The Perdew-Zunger self-interaction correction cures many common problems associated with semilocal density functionals, but suffers from a size-extensivity problem when Kohn-Sham o…
Direct extraction of excitation energies from ensemble density-functional theory
Zeng-hui Yang, Aurora Pribram-Jones, Kieron Burke +1
A very specific ensemble of ground and excited states is shown to yield an exact formula for any excitation energy as a simple correction to the energy difference between orbitals…