119 citations · 606 across the 23 of their papers we have counts for
23 papers
Local Manipulation of Skyrmion Lattice in Fe3GaTe2 at Room Temperature
Shuaizhao Jin, Zhan Wang, Shouzhe Dong +12
Motivated by advances in spintronic devices, an extensive exploration is underway to uncover materials that host topologically protected spin textures, exemplified by skyrmions. On…
Zero Poisson' s Ratio and Suppressed Mechanical Anisotropy in BP/SnSe Van der Waals Heterostructure: A First-principles Study
Qi Ren, Xingyao Wang, Yingzhuo Lun +2
Black phosphorene and its analogs have attracted intensive attention due to their unique puckered structures, anisotropic characteristics, and negative Poisson's ratio. The van der…
Band-Edge Orbital Engineering of Perovskite Semiconductors for Optoelectronic Applications
Gang Tang, Philippe Ghosez, Jiawang Hong
Lead (Pb) halide perovskites have achieved great success in recent years due to their excellent optoelectronic properties, which is largely attributed to the lone-pair s orbital-de…
The Observation of Ferroelastic and Ferrielectric Domains in AgNbO3 Single Crystal
Wei Zhao, Zhengqian Fu, Jianming Deng +5
Compared to AgNbO3 based ceramics, the experimental investigations on the single crystalline AgNbO3, especially the ground state and ferroic domain structures, are not on the same…
Giant Polarization and Abnormal Flexural Deformation in Bent Freestanding Perovskite Oxides
Songhua Cai, Yingzhuo Lun, Dianxiang Ji +15
Recent realizations of ultrathin freestanding perovskite oxides offer a unique platform to probe novel properties in two-dimensional oxides. Here, we observed a giant flexoelectric…
Orbital-Energy Splitting in Anion Ordered Ruddlesden-Popper Halide Perovskites for Tunable Optoelectronic Applications
Gang Tang, Vei Wang, Yajun Zhang +2
The electronic orbital characteristics at the band edges plays an important role in determining the electrical, optical and defect properties of perovskite photovoltaic materials.…
Conductive Domain Walls in Non-Oxide Ferroelectrics Sn2P2S6
Jianming Deng, Xingan Jiang, Yanyu Liu +11
The conductive domain wall (CDW) is extensively investigated in ferroelectrics, which can be considered as a quasi-two-dimensional reconfigurable conducting channel embedded into a…
Domain evolution in bended freestanding BaTiO3 ultrathin films: a phase-field simulation
Changqing Guo, Guohua Dong, Ziyao Zhou +4
Perovskite ferroelectric oxides are usually considered to be brittle materials, however, recent work [Dong et al., Science 366, 475 (2019)] demonstrated the super-elasticity in the…
Ferroelastic switching with van der Waals direction transformation in layered PdSe2 driven by uniaxial and shear strain
Peng Lv, Gang Tang, Yanyu Liu +3
Uniaxial and biaxial strain approaches are usually implemented to switch the ferroelastic states, which play a key role in the application of the ferroics and shape memory material…
Flexo-diffusion effect: the strong influence on lithium diffusion induced by strain gradient
Gao Xu, Feng Hao, Mouyi Weng +3
Lithium ion batteries (LIBs) work under sophisticated external force field and its electrochemical properties could be modulated by strain. Owing to the electro-mechanical coupling…
Strain gradient drives lithium dendrite growth from the atomic-scale simulations
Gao Xu, Feng Hao, Jiawang Hong +1
Dendrite formation is a major obstacle, such as capacity loss and short circuit, to the next-generation high-energy-density lithium (Li) metal batteries. The development of success…
Structural Stability and Optoelectronic Properties of Tetragonal MAPbI3 under Strain
Lei Guo, Gao Xu, Gang Tang +2
In recent years, organic-inorganic hybrid perovskites have attracted wide attention due to their excellent optoelectronic properties in the application of optoelectronic devices. I…
Thickness-dependent in-plane polarization and structural phase transition in van der Waals Ferroelectric CuInP2S6
Jianming Deng, Yanyu Liu, Mingqiang Li +7
Van der Waals (vdW) layered materials have rather weaker interlayer bonding than the intra-layer bonding, therefore the exfoliation along the stacking direction enables the achieve…
Anomalous lattice thermal conductivity in layered materials MNCl (M=Zr, Hf) driven by the lanthanide contraction
Xiaoxia Yu, Hezhu Shao, Xueyun Wang +3
High performance thermoelectric devices requires materials with low lattice thermal conductivities. Many strategies, such as phonon engineering, have been made to reduce lattice th…
Spontaneous photo-generated carrier separation of SnO/BiOX (X=Cl, Br, I) bilayer under visible light irradiation for water splitting
Yanyu Liu, Peng Lv, Wei Zhou +1
Alloying in 2D materials plays a more and more important role due to wide range bandgap tunability and integrating the advantages of HER and OER. Here, the novel bilayers of SnO/Bi…
Mechanical Properties of Formamidinium Halide Perovskites FABX3 (FA = CH(NH2)2; B = Pb, Sn; X = Br, I) From First-Principles
Lei Guo, Gang Tang, Jiawang Hong
The mechanical properties of formamidinium halide perovskite FABX3(FA = CH(NH2)2; B = Pb, Sn; X = Br, I) were systematically investigated by using the first-principles calculations…
Lithium intercalation drives remarkable mechanical properties deterioration in bulk and single-layered phosphorus: A first-principles study
Gao Xu, Yanyu Liu, Jiawang Hong +1
It is of critical importance to understand the mechanical properties change of electrode materials during lithium intercalation in the mechanical design of Li-ion batteries, for th…
Orbital Engineering in Three Dimensional Halide Perovskites towards Two Dimensional Properties with Strong Anisotropy
Gang Tang, Zewen Xiao, Jiawang Hong
The discovery of double perovskites A2B(I)B(III)X6 (A=monovalent cation; B(I)/B(III) = metal cation; X = halogen) as Pb(II)-free alternatives has attracted widespread attention, ma…
First-principles study of the structural, electronic, magnetic and ferroelectric properties of a charge ordered Iron(II)- Iron(III) formate framework
Gang Tang, Wei Ren, Jiawang Hong +1
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework…
The coexistence of magnetism and ferroelectricity in 3d transition metal doped SnTe monolayer
Yanyu Liu, Wei Zhou, Gang Tang +3
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this wo…
High Curie temperature half metallic 2D M2Se3 (M = Co, Ni, and Pd) monolayers with superior mechanical flexibility
Peng Lv, Gang Tang, Chao Yang +5
Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the pre…
Non-monotonic thickness dependence of Curie temperature and ferroelectricity in Two-dimensional SnTe film
Chao Yang, Yanyu Liu, Gang Tang +2
Recently, the observation of atomic thin film SnTe with a Curie temperature (Tc) higher than that of the bulk (Chang et. al., Science 353, 274 (2016)) has boosted the research on t…
Frustrated Magnetism in Mott Insulating (VCr)O
J. C. Leiner, H. O. Jeschke, R. Valenti +9
V2O3 famously features all four combinations of paramagnetic vs antiferromagnetic, and metallic vs insulating states of matter in response to %-level doping, pressure in the GPa ra…