119 citations · 853 across the 25 of their papers we have counts for
25 papers
Accurate force field of two-dimensional ferroelectrics from deep learning
Jing Wu, Liyi Bai, Jiawei Huang +3
The discovery of two-dimensional (2D) ferroelectrics with switchable out-of-plane polarization such as monolayer -InSe offers a new avenue for ultrathin high-density fer…
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…
Establishing quasi-linear quadrupole functional topology by oxygen-vacancy engineering at a ferroelectric domain wall
Hemaprabha Elangovan, Maya Barzilay, Jiawei Huang +3
Oxygen vacancies in two-dimensional metal-oxide structures garner much attention due to unique conductive, magnetic and even superconductive functionalities they induce. Ferroelect…
Two-dimensional multiferroic metal with voltage-tunable magnetization and metallicity
Xu Duan, Jiawei Huang, Bin Xu +1
We design a multiferroic metal that combines seemingly incompatible ferromagnetism, ferroelectricity, and metallicity by hole doping a two-dimensional (2D) ferroelectric with high…
Two-dimensional ferroelectric metal for electrocatalysis
Changming Ke, Jiawei Huang, Shi Liu
The coexistence of metallicity and ferroelectricity has been an intriguing and controversial phenomenon as these two material properties are considered incompatible in bulk. We cla…
On-demand quantum spin Hall insulators controlled by two-dimensional ferroelectricity
Jiawei Huang, Xu Duan, Sunam Jeon +4
The coexistence of ferroelectric and topological orders in two-dimensional (2D) atomic crystals allows non-volatile and switchable quantum spin Hall states. Here we offer a general…
Deep Learning of Accurate Force Field of Ferroelectric HfO
Jing Wu, Yuzhi Zhang, Linfeng Zhang +1
The discovery of ferroelectricity in HfO-based thin films opens up new opportunities for using this silicon-compatible ferroelectric to realize low-power logic circuits and hig…
Designing Xenes with Two-Dimensional Triangular Lattice
Xu Duan, Zhao Liu, Brendan M. Hanrahan +2
Xenes, graphene-like two-dimensional (2D) monoelemental crystals with a honeycomb symmetry, have been the focus of numerous experimental and theoretical studies. In comparison, sin…
First-Principles Study of Two-Dimensional Ferroelectrics Using Self-Consistent Hubbard Parameters
Jiawei Huang, Sang-Hoon Lee, Andrew Supka +2
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-dens…
Strain-Induced Room-Temperature Ferroelectricity in SrTiO Membranes
Ruijuan Xu, Jiawei Huang, Edward S. Barnard +11
Advances in complex oxide heteroepitaxy have highlighted the enormous potential of utilizing strain engineering via lattice mismatch to control ferroelectricity in thin-film hetero…
T-square resistivity without Umklapp scattering in dilute metallic BiOSe
Jialu Wang, Jing Wu, Tao Wang +7
The electrical resistivity of Fermi liquids (FLs) displays a quadratic temperature () dependence because of electron-electron (e-e) scattering. For such collisions to decay the…
Effects of Growth Orientations and Epitaxial Strains on Phase Stability of HfO Thin Films
Shi Liu, Brendan M Hanrahan
The discovery of ferroelectricity in both pure and doped HfO-based thin films have revitalized the interest in using ferroelectrics for nanoscale device applications. To take a…
Origin of Negative Longitudinal Piezoelectric Effect
Shi Liu, R. E. Cohen
Piezoelectrics with negative longitudinal piezoelectric coefficients will contract in the direction of an applied electric field. Such piezoelectrics are thought to be rare but the…
Stable Charged Antiparallel Domain Walls in Hyperferroelectrics
Shi Liu, R. E. Cohen
Charge-neutral 180 domain walls that separate domains of antiparallel polarization directions are common structural topological defects in ferroelectrics. In normal ferroel…
Multiscale Simulations of Defect Dipole-Enhanced Electromechanical Coupling at Dilute Defect Concentrations
Shi Liu, R. E. Cohen
The role of defects in solids of mixed ionic-covalent bonds such as ferroelectric oxides is complex. Current understanding of defects on ferroelectric properties at the single-defe…
Ultra-fast electric field control of giant electrocaloric effect in ferroelectrics
Yubo Qi, Shi Liu, Aaron M. Lindenberg +1
There is a surge of interest in developing environmentally friendly cooling technology based on the solid--state electrocaloric effect (ECE). Here, we point out that negative ECE w…
Origin of Stationary Domain Wall Enhanced Ferroelectric Susceptibility
Shi Liu, R. E. Cohen
Ferroelectrics usually adopt a multi-domain state with domain walls separating domains with polarization axes oriented differently. It has long been recognized that domain walls ca…
Caloric Effects in Methylammonium Lead Iodide from Molecular Dynamics Simulations
Shi Liu, Ronald E. Cohen
Organic-inorganic hybrid perovskite architecture could serve as a robust platform for materials design to realize functionalities beyond photovoltaic applications. We explore calor…
Atomistic Description for Temperature-Driven Phase Transitions in BaTiO
Yubo Qi, Shi Liu, Ilya Grinberg +1
Barium titanate (BaTiO) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases.…
Photoferroelectric and Photopiezoelectric Properties of Organometal Halide Perovskites
Shi Liu, Fan Zheng, Ilya Grinberg +1
Piezoelectrics play a critical role in various applications. The permanent dipole associated with the molecular cations in organometal-halide perovskites (OMHPs) may lead to sponta…
Strain Induced Ferroelectric Topological Insulator
Shi Liu, Youngkuk Kim, Liang Z. Tan +1
The simultaneous presence of seemingly incompatible properties of solids often provides a unique opportunity to address questions of fundamental and practical importance. The coexi…
Polarization Dependence of Water Adsorption to CHNHPbI (001) Surfaces
Nathan Z. Koocher, Diomedes Saldana-Greco, Fenggong Wang +2
The instability of organometal halide perovskites when in contact with water is a serious challenge to their feasibility as solar cell materials. Although studies of moisture expos…
Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in Organometal Halide Perovskites
Fan Zheng, Liang Z. Tan, Shi Liu +1
Organometal halide perovskites are promising solar-cell materials for next-generation photovoltaic applications. The long carrier lifetime and diffusion length of these materials m…
Exploration of the momentum of ferroelectric domain walls via molecular dynamics simulations
Shi Liu, Ilya Grinberg, Andrew M. Rappe
The motion of ferroelectric domain walls (DW) is critical for various technological applications of ferroelectric materials. One important question that is of interest both scienti…