51 citations · 347 across the 25 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…
Density-functional study of plutonium monoxide monohydride
Ruizhi Qiu, Haiyan Lu, Bingyun Ao +2
The structural, electronic, mechanical, optical, thermodynamic properties of plutonium monoxide monohydride (PuOH) are studied by density-functional calculations within the framewo…
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…