158 citations · 454 across the 10 of their papers we have counts for
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Two-dimensional vertically polarized Hg3AsSe4I monolayer for efficient photocatalytic water-splitting: promoting carrier separation by intrinsic electric field and Rashba effect
Xinfeng Chen, Wenchao Shan, Fengfeng Ye +1
Efficient separation of photo-excited electron-hole pairs is essential for developing the high performance photocatalysts towards light-driven water-splitting applications. To this…
2D Ferroelectric Ruddlesden-Popper Perovskites: an Emerging Fully Electronically Controllable Shift Current and Persistent Spin Helix
Yue Zhao, Fu Li, Vikrant Chaudhary +5
Two-dimensional (2D) hybrid organic--inorganic perovskites (HOIPs) are promising candidates for next-generation optoelectronic and spintronic applications. This work systematically…
Distinguish the Orientation of Sliding Ferroelectricity by Second-Harmonic Generation
Fengfeng Ye, Qiankun Li, Zhuocheng Lu +5
As the emerging ferroelectric (FE) materials, the ultrathin two-dimensional (2D) sliding ferroelectrics without phase-matching bottleneck, usually exhibit the pronounced second har…
Unraveling Shear Strain Induced Ferroelectric-to-Antiferroelectric Phase Transition and Accessing Intrinsic Antiferroelectricity in Two-dimensional NbOCl2
Jiawei Mao, Yinglu Jia, Gaoyang Gou +2
Compared to the well studied two-dimensional (2D) ferroelectricity, much rare is the appearance of 2D antiferroelectricity, where local dipoles from the nonequivalent sublattices w…
Unconventional Magnetism, Sliding Ferroelectricity, and Magneto-Optical Kerr Effect in Multiferroic Bilayers
Chen Xinfeng, Ding Ning, Paolo Barone +6
Antiferromagnetic (AFM) materials provide a platform to couple altermagnetic (AM) spin-splitting with the magneto-optical Kerr effect (MOKE), offering potential for next-generation…
Mechanical Switching of Nanoscale Multiferroic Phase Boundaries
Yong-Jun Li, Jian-Jun Wang, Jian-Chao Ye +13
Tuning the lattice degree of freedom in nanoscale functional crystals is critical to exploit the emerging functionalities such as piezoelectricity, shape-memory effect, or piezomag…
A Nanoscale Shape Memory Oxide
Jinxing Zhang, Xiaoxing Ke, Gaoyang Gou +9
Stimulus-responsive shape memory materials have attracted tremendous research interests recently, with much effort focused on improving their mechanical actuation. Driven by the ne…
Strain-induced isosymmetric ferri-to-ferroelectric transition with large piezoelectricity
Gaoyang Gou, James M. Rondinelli
We identify a first-order, isosymmetric transition between a ferrielectric (FiE) and ferroelectric (FE) state in -site ordered LaScO/BiScO and LaInO/BiInO$_{3}…
Lattice normal modes and electronic properties of the correlated metal LaNiO
Gaoyang Gou, Ilya Grinberg, Andrew M. Rappe +1
We use density functional theory (DFT) calculations to study the lattice vibrations and electronic properties of the correlated metal LaNiO. To characterize the rhombohedral to…
Post density functional theoretical studies of highly polar semiconductive Pb(TiNi)O solid solutions: The effects of cation arrangement on band gap
Gaoyang Gou, Joseph W. Bennett, Hiroyuki Takenaka +1
We use a combination of conventional density functional theory (DFT) and post-DFT methods, including the local density approximation plus Hubbard (LDA+), PBE0, and self-cons…