1k citations · 1k across the 4 of their papers we have counts for
13 papers
Local positional and spin symmetry breaking as a source of magnetism and insulation in paramagnetic EuTiO3
Oleksandr I. Malyi, Xin-Gang Zhao, Annette Bussmann-Holder +1
We consider theoretically the paramagnetic phases of EuTiO3 that represent configurations created by two sets of microscopic degrees of freedom (m-DOF): positional symmetry breakin…
The effects of intrinsic local distortions vs. dynamic thermal motions on the stability and band gaps of cubic oxide and halide perovskites
Xin-Gang Zhao, Zhi Wang, Oleksandr I. Malyi +1
Corner-shared ABX perovskites have long featured prominently in solid-state chemistry and condensed matter physics. Still, the joint understanding of their two main subgroups-h…
JAMIP: an artificial-intelligence aided data-driven infrastructure for computational materials informatics
Xin-Gang Zhao, Kun zhou, Bangyu Xing +13
Materials informatics has emerged as a promisingly new paradigm for accelerating materials discovery and design. It exploits the intelligent power of machine learning methods in ma…
Mass enhancement in 3d and s-p perovskites from symmetry breaking
Zhi Wang, Oleksandr I. Malyi, Xingang Zhao +1
In some d-electron oxides the measured effective mass m(exptl) has long been known to be significantly larger than the model effective mass m(model) deduced from mean-field band th…
Understanding Electronic Peculiarities in Tetragonal FeSe as Local Structural Symmetry Breaking
Zhi Wang, Xingang Zhao, Robert Koch +2
Traditional band theory of perfect crystalline solids often uses as input the structure deduced from diffraction experiments; when modeled by the minimal unit cell this often produ…
The polymorphous nature of cubic halide perovskites
Xingang Zhao, Gustavo M. Dalpian, Zhi Wang +1
It has been long known that numerous halide and oxide perovskites can have non-ideal octahedra, showing tilting, rotation, and metal atom displacements. It has also been known that…