73 citations · 200 across the 17 of their papers we have counts for
5 papers · 1 filter
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…