26 citations · 40 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2019★ 14 cited
Generation of low-symmetry perovskite structures for ab initio computation
N. Xie, J. Zhang, N. Zhang +2
Ion displacements are the cause of the ferroelectricity in perovskites. By properly shifting ions, ab initio computations have been extensively used to investigate properties of pe…
cond-mat.mtrl-sci2019
ATiO/TiO (A=Pb, Sn) superlattice: bridging ferroelectricity and conductivity
S. Raza, R. Zhang, N. Zhang +5
We propose to insert TiO layers to perovskite ATiO to form a superlattice and use first-principles calculations to investigate its basic properties. Our computational analysi…
cond-mat.mtrl-sci2018★ 26 cited
Ewald summation for ferroelectric perovskites with charges and dipoles
D. Wang, J. Liu, J. Zhang +3
Ewald summation is an important technique used to deal with long-range Coulomb interaction. While it is widely used in simulations of molecules and solid state materials, many impo…