12k citations · 38.8k across the 86 of their papers we have counts for
Showing 2017 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2017★ 234 cited
Properties of real metallic surfaces: Effects of density functional semilocality and van der Waals nonlocality
Abhirup Patra, Jefferson E. Bates, Jianwei Sun +1
We have computed the surface energies, work functions, and interlayer surface relaxations of clean (111), (110), and (100) surfaces of Al, Cu, Ru, Rh, Pd, Ag, Pt, and Au. Many of t…
cond-mat.mtrl-sci2017★ 259 cited
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
Yubo Zhang, Jianwei Sun, John P. Perdew +1
Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spo…