73 citations · 200 across the 17 of their papers we have counts for
17 papers
Temperature-driven structural phase transitions in SmNiO: insights from deep potential molecular dynamics simulations
Guoyong Shi, Fenglin Deng, Ri He +4
The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate coupling between lattice dynamics and electronic effects. This strong interplay makes it cha…
Undamped Soliton-like Domain Wall Motion in Sliding Ferroelectrics
Yubai Shi, Yuxiang Gao, Ri He +3
Sliding ferroelectricity in bilayer van der Waals materials exhibits ultrafast switching speed and fatigue resistance during the polarization switching, offering an avenue for the…
Spontaneous curvature in two-dimensional van der Waals heterostructures
Yuxiang Gao, Fenglin Deng, Ri He +1
Two-dimensional (2D) van der Waals (vdW) heterostructures consist of different 2D crystals with diverse properties, constituting the cornerstone of the new generation of 2D electro…
Sliding Flexoelectricity in Two-Dimensional van der Waals Systems
Ri He, Hua Wang, Fenglin Deng +5
Two-dimensional sliding ferroelectrics, with their unique stacking degrees of freedom, offer a different approach to manipulate polarization by interlayer sliding. Bending sliding…
A compositional ordering-driven morphotropic phase boundary in ferroelectric solid solutions
Yubai Shi, Yifan Shan, Hongyu Wu +3
Ferroelectric solid solutions usually exhibit giant dielectric response and high piezoelectricity in the vicinity of the morphotropic phase boundary (MPB), where the structural pha…
Revisit the phase diagram and piezoelectricity of lead zirconate titanate from first principles
Yubai Shi, Ri He, Bingwen Zhang +1
Lead zirconate titanate (PbZr1-xTixO3, PZT) exhibits excellent piezoelectric properties in the morphotropic phase boundary (MPB) region of its temperature-composition phase diagram…
Ferroelastic twin wall mediated ferro-flexoelectricity and bulk photovoltaic effect in SrTiO
Ri He, Haowei Xu, Peijun Yang +3
Ferroelastic twin walls in nonpolar materials can give rise to a spontaneous polarization due to symmetry breaking. Nevertheless, the bi-stable polarity of twin walls and its rever…
Pressure-induced one-dimensional oxygen ion diffusion channel in lead-apatite
Ri He, Hongyu Wu, Xuejian Qin +2
Recently, Lee et al. claimed that the experimental observation of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (Pb10-xCux(PO4)6O). The study revea…
Atomistic simulations of thermodynamic properties of liquid gallium from first principles
Hongyu Wu, Wenliang Shi, Ri He +4
In the research of condensed matter, atomistic dynamic simulations play a crucial role, particularly in revealing dynamic processes, phase transitions and thermodynamic statistics…
Unconventional ferroelectric domain switching dynamics in CuInP2S6 from first principles
Ri He, Hua Wang, Fucai Liu +3
The switching dynamics of ferroelectric materials is a crucial intrinsic property which directly affects the operation and performance of ferroelectric devices. In conventional fer…
Ultrafast switching dynamics of the ferroelectric order in stacking-engineered ferroelectrics
Ri He, Bingwen Zhang, Hua Wang +4
The recently discovered ferroelectricity of van der Waals bilayers offers an unconventional route to improve the performance of devices. Key parameters such as switching field and…
Large-scale Atomistic Simulation of Quantum Effects in SrTiO from First Principles
Hongyu Wu, Ri He, Yi Lu +1
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 phase…
Large-scale atomistic simulation of dislocation core structure in face-centered cubic metal with Deep Potential method
Fenglin Deng, Hongyu Wu, Ri He +2
The core structure of dislocations is critical to their mobility, cross slip, and other plastic behaviors. Atomistic simulation of the core structure is limited by the size of firs…
Origin of negative thermal expansion and pressure induced amorphization in zirconium tungstate from machine-learning potential
Ri He, Hongyu Wu, Yi Lu +1
Understanding various macroscopic pressure-volume-temperature properties of materials on the atomistic level has always been an ambition for physicists and material scientists. Par…
Structural Phase Transitions in SrTiO3 from Deep Potential Molecular Dynamics
Ri He, Hongyu Wu, Linfeng Zhang +4
Strontium titanate (SrTiO3) is regarded as an essential material for oxide electronics. One of its many remarkable features is subtle structural phase transition, driven by antifer…
Charged Oxygen Vacancy Induced Ferroelectric Structure Transition in Hafnium Oxide
Ri He, Hongyu Wu, Shi Liu +3
The discovery of ferroelectric HfO2 in thin films and more recently in bulk is an important breakthrough because of its silicon-compatibility and unexpectedly persistent polarizati…
Polarity induced electronic and atomic reconstruction at NdNiO2/SrTiO3 interfaces
Ri He, Peiheng Jiang, Yi Lu +5
Superconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this…