212 citations · 280 across the 17 of their papers we have counts for
13 papers · 1 filter
Phonon-Localization-Driven Decoupling of Dual-Channel Transport for Record-Low Intrinsic Lattice Thermal Conductivity
Zhunyun Tang, Xiaoxia Wang, Jin Li +4
A fundamental bottleneck in pushing the intrinsic lattice thermal conductivity of inorganic crystalline solids to its lowest limit arises from the inherent competition between the…
High-Throughput Discovery of Semimetallic Borophenes with Diverse Dirac States Via Transferable Tight-Binding Approach
Yuke Song, Shifang Li, Tao Ouyang +3
Borophene has attracted extensive interest due to its structural flexibility and emergent topological electronic states. However, semimetallic borophenes hosting robust Dirac state…
The ground state of CuInPS thin films: A study of the deep potential method
Shengxian Li, Jiaren Yuan, Tao Ouyang +2
The two-dimensional ferroelectric (FE) material CuInPS (CIPS) has garnered considerable interest due to its out-of-plane ferroelectricity at room temperature. However, a no…
Unique Hierarchical Rotational Dynamics Induces Ultralow Lattice Thermal Conductivity in Cyanide-bridged Framework Materials
Zhunyun Tang, Xiaoxia Wang, Jin Li +4
The pursuit of materials combining light constituent elements with ultralow lattice thermal conductivity () is crucial to advancing technologies like thermoelectric…
Combining intrinsic and sliding-induced polarizations for multistates in two dimensional ferroelectrics
Chuhan Tang, Zhiqiang Tian, Tao Ouyang +2
Going beyond the bistability paradigm of the charge polarizations in ferroelectrics is highly desired for ferroelectric (FE) memory devices toward ultra-high-density information st…
Doping induced multiferroicity and quantum anomalous Hall effect in -InSe thin films
Zhiqiang Tian, Jin-Yang Li, Tao Ouyang +5
In flat-band materials, the strong Coulomb interaction between electrons can lead to exotic physical phenomena. Recently, -InSe thin films were found to possess ferroele…
Vertical Ferroelectricity in Van der Waals Materials: Models and Devices
Yuwen Zhang, Chunfeng Cui, Chaoyu He +4
Ferroelectricity has a wide range of applications in functional electronics and is extremely important for the development of next-generation information storage technology, but it…
Flat-band based ferromagnetic semiconducting state in the graphitic CN monolayer
Chaoyu He, Yujie Liao, Tao Ouyang +3
A new set of lattice-models based on the hexagonal super-cells of the well-known honeycomb lattice with single-hole defect (HL-D-1/2N) are proposed to real…
I4/mcm-Si: An Ideal Topological Nodal-Line Semimetal
Laiyuan Su, Shifang Li, Jin Li +6
Topological semimetals (TSMs) have attracted numerous attention due to their exotic physical properties and great application potentials. Silicon-based TMSs are of particularly imp…
Ground state configuration of hydrogenated Biphenylene sheet: structure, stabilities, electronic and mechanical properties from first-principles calculations
YuJie Liao, XiZhi Shi, Tao Ouyang +5
Based on first-principles calculations, the ground state configuration (Cmma-CH) of hydrogenated Biphenylene sheet (Science, 372, 852, 2021) is carefully identified from hundreds o…
New structure canditates for the experimentally synthesized heptazine-based and triazine-based two dimensional graphitic carbon nitride
Luneng zhao, Xizhi Shi, Jin Li +5
The widely used crystal structures for both heptazine-based and triazine-based two-dimensional (2D) graphitic carbon nitride (g-CN) are the flat P-6m2 configurations. Howev…
New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricity
Zhenqing Li, Chaoyu He, Tao Ouyang +4
In this letter, we show that a new class of two-dimensional phosphorus allotropes can be constructed via assembling the previously proposed ultrathin metastable phosphorus nanotube…
New Boys and Girls in Phosphorene Family from Gene Recombination: Different from Parents, Excellent than Parents
Chaoyu He, Chunxiao Zhang, Tao Ouyang +2
Based on the crystal structures of the previously proposed low energy phosphorene allotropes η-P and θ-P (Nano. Lett. 2015, 15, 3557), we propose five new structural stable phospho…