117 citations · 272 across the 10 of their papers we have counts for
10 papers
Structural disorder by octahedral tilting in inorganic halide perovskites: New insight with Bayesian optimization
Jingrui Li, Fang Pan, Guo-Xu Zhang +8
Structural disorder is common in metal-halide perovskites and important for understanding the functional properties of these materials. First-principles methods can address structu…
Structural phase transition of two-dimensional monolayer SnTe from artificial neural network
Jiale Zhang, Danni Wei, Feng Zhang +2
As machine learning becomes increasingly important in engineering and science, it is inevitable that machine learning techniques will be applied to the investigation of materials,…
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…
Localized polarons and conductive charge carriers: understanding CaCuTiO over a broad temperature range
Laijun Liu, Shaokai Ren, Jia Liu +6
CaCuTiO (CCTO) has a large dielectric permittivity that is independent of the probing frequency near the room temperature, which complicated due to the existence…
Insight into dielectric response of ferroelectric relaxors by statistical modeling
J. Liu, F. Li, Y. Zeng +4
Ferroelectric relaxors are complex materials with distinct properties. The understanding of their dielectric susceptibility, which strongly depends on both temperature and probing…
Electric dipole sheets in BaTiO/BaZrO superlattices
Zhijun Jiang, Bin Xu, Fei Li +2
We investigate two-dimensional electric dipole sheets in the superlattice made of BaTiO and BaZrO using first-principles-based Monte-Carlo simulations and density funct…