J Wu, J Yang, L Ma, L Zhang, S Liu - Physical Review B, 2023 - APS
The multicomponent oxide solid solution is a versatile platform to tune the delicate balance between competing spin, charge, orbital, and lattice degrees of freedom for materials design …
The determination of atomic structures in surface reconstructions has typically relied on structural models derived from intuition and domain knowledge. Evolutionary algorithms …
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 …
M Xu, X Tian, Q Deng, Q Li, S Shen - Nano Letters, 2022 - ACS Publications
As an electromechanical coupling between strain gradients and polarization, flexoelectricity is largely enhanced at the nanoscale. However, directly observing the evolution of …
Recent research has highlighted the potential of ferroelectricity in van der Waals bilayers in providing an unconventional route for improving device performance. Understanding the …
Understanding various macroscopic pressure-volume-temperature properties of materials on the atomistic level has always been an ambition for physicists and material scientists …
Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bistable polarity of twin walls and its reversal have …
X Xu, F Li, C Niu, M Li, H Wang - Applied Physics Letters, 2023 - pubs.aip.org
Using the ab initio-based training database, we trained the potential function for ammonium iodide (NH 4 I) based on a deep neural network-based model. On the basis of this potential …