89 citations · 713 across the 40 of their papers we have counts for
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A "hidden" transition in heavy fermion compound CeB at 20 K?
Haiyan Lu, Li Huang
The temperature-dependent electronic structures of heavy fermion compound CeB are investigated thoroughly by means of the combination of density functional theory and single-…
Energetics of point defects in aluminum via orbital-free density functional theory
Ruizhi Qiu, Haiyan Lu, Bingyun Ao +3
The formation and migration energies for various point defects, including vacancies and self-interstitials in aluminum are reinvestigated systematically using the supercell approxi…
Combined Semilocal Exchange Potential with Dynamical Mean-Field Theory
Li Huang, Haiyan Lu
The modern semilocal exchange potential is an accurate and efficient approximation to the exact exchange potential of density functional theory. We tried to combine it with the dyn…
Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility
Li Huang, Yilin Wang, Lei Wang +1
A generalized version of the fidelity susceptibility of single-band and multi-orbital Hubbard models is systematically studied using single-site dynamical mean-field theory in comb…
Pressure-driven 4 localized-itinerant crossover in heavy fermion compound CeIn: A first-principles many-body perspective
Haiyan Lu, Li Huang
The localized-itinerant nature of Ce-4 valence electrons in heavy fermion compound CeIn under pressure is studied thoroughly by means of the combination of density functio…
Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting
Yilin Wang, Li Huang, Liang Du +1
We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field spl…