A5027700892- Perovskite Materials and Applications
- Ferroelectric and Piezoelectric Materials
- Multiferroics and related materials
- Solid-state spectroscopy and crystallography
- Acoustic Wave Resonator Technologies
- Advanced Condensed Matter Physics
- Gyrotron and Vacuum Electronics Research
- Terahertz technology and applications
- Magnetic and transport properties of perovskites and related materials
- Machine Learning in Materials Science
- Superconducting and THz Device Technology
China University of Mining and Technology
2022-2024
University of Jinan
2019
Two-dimensional (2D) ferroelectricity has attracted extensive attention since its discovery in the monolayers of van der Waals materials. Here we show that 2D induced by octahedral rotation distortion is widely present perovskite bilayer system through first-principles calculations. The tolerance factor plays a crucial role lattice dynamics and ground-state structure bilayers, thus providing an important indicator for screening this hybrid improper ferroelectricity. Generally, ferroelectric...
Predicting properties of crystals from their structures is a fundamental yet challenging task in materials science. Unlike molecules, crystal exhibit infinite periodic arrangements atoms, requiring methods capable capturing both local and global information effectively. However, most current works fall short long-range interactions within structures. To address this limitation, we leverage reciprocal space to efficiently encode with learnable filters Fourier transforms. We introduce...
Two-dimensional (2D) ferroelectricity has attracted considerable interest since its demonstration in van der Waals monolayers. Research on 2D so far focused materials, and whether some of the intrinsic ferroelectric mechanisms found perovskite bulks can be retained to monolayer limit remains an issue solved. Here, we demonstrate that caused by lone pair electron effect exist inorganic halide This occurs monolayers with smaller anions, involving ${\mathrm{Cs}}_{2}{\mathrm{GeF}}_{4},...
Two-dimensional (2D) ferroelectrics and multiferroics have attracted considerable scientific technological interest in recent years due to the increasing demands for miniaturization low energy consumption of electronic devices. At present, research on 2D is still focused van der Waals materials, while known bulk ferroelectric multiferroic materials are mostly found perovskite systems. The ability prepare transfer oxides has provided unprecedented opportunities developing based perovskites....
The Jahn-Teller distortion and the resulting orbital order usually cause some fascinating correlated electronic behaviors, generally lead to antiferromagnetism in perovskite bulks. Here we demonstrate that present fluoride ${\mathrm{KCrF}}_{3}$ bulk can be retained two-dimensional limit, a staggered ferromagnetism monolayer. Octahedral tilt rotation also appear ground-state structure of monolayer, which have minor effects on magnetic properties with respect distortion. In addition, prototype...
Ferroelectricity in lead halide perovskites has attracted tremendous interest due to its promising applications high-performance optoelectronic devices. At present, ferroelectricity been reported some inorganic perovskite bulks, but whether it can exist their ultra-thin films or even the two-dimensional (2D) limit remains an unresolved issue. Here, we investigate monolayer ${\mathrm{Cs}}_{2}\mathrm{Pb}{X}_{4}$ ($X$ = F, Cl, Br, I) using first-principles calculations, and demonstrate that...
Magnetic kagome lattices have attracted much attention recently due to the interplay of band topology with magnetism and electronic correlations, which give rise a variety exotic quantum states. A common structural distortion lattice is breathing mode, can significantly influence characteristics. However, modulation mode associated topological phenomena remain rarely explored. Here, we demonstrate that coupling modes ferroelectricity, magnetism, in M3X8 monolayer system enables electric...