161 citations · 390 across the 13 of their papers we have counts for
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Large-scale Atomistic Simulation of Quantum Effects in SrTiO from First Principles
Hongyu Wu, Ri He, Yi Lu +1
Quantum effects of lattice vibration play a major role in many physical properties of condensed matter systems, including thermal properties such as specific heat, structural phase…
Origin of negative thermal expansion and pressure induced amorphization in zirconium tungstate from machine-learning potential
Ri He, Hongyu Wu, Yi Lu +1
Understanding various macroscopic pressure-volume-temperature properties of materials on the atomistic level has always been an ambition for physicists and material scientists. Par…
Magnetism in doped infinite-layer NdNiO2 studied by combined density functional theory and dynamical mean-field theory
Dachuan Chen, Peiheng Jiang, Liang Si +2
The recent observation of superconductivity in infinite-layer nickelates has brought intense debate on the established knowledge of unconventional superconductivity based on the cu…
Stabilization of three-dimensional charge order through interplanar orbital hybridization in PrYBaCuO
Alejandro Ruiz, Brandon Gunn, Yi Lu +13
The shape of 3-orbitals often governs the electronic and magnetic properties of correlated transition metal oxides. In the superconducting cuprates, the planar confinement of th…