259 citations · 912 across the 19 of their papers we have counts for
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Prediction of protected band edge states and dielectric tunable quasiparticle and excitonic properties of monolayer MoSiN
Yabei Wu, Zhao Tang, Weiyi Xia +6
The electronic structure of two-dimensional (2D) materials are inherently prone to environmental perturbations, which may pose significant challenges to their applications in elect…
Remarkable band gap renormalization via dimensionality of the layered material C3B
Yabei Wu, Weiyi Xia, Yubo Zhang +3
Layer-dependent electronic and structural properties of emerging graphitic carbon boron compound C3B are investigated using both density functional theory and the GW approximation.…
Observation of a Room Temperature Two-dimensional Ferroelectric Metal
Mao Ye, Songbai Hu, Shanming Ke +11
Materials with reduced dimensions have been shown to host a wide variety of exotic properties and novel quantum states that often defy textbook wisdom1-5. Ferroelectric polarizatio…
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA
Yubo Zhang, Jianwei Sun, John P. Perdew +1
Originating from a broken spatial inversion symmetry, ferroelectricity is a functionality of materials with an electric dipole that can be switched by external electric fields. Spo…
Effects of biaxial strain on the improper multiferroicity in h-LuFeO3 films
Kishan Sinha, Yubo Zhang, Xuanyuan Jiang +11
Elastic strain is potentially an important approach in tuning the properties of the improperly multiferroic hexagonal ferrites, the details of which have however been elusive due t…
SCAN: An Efficient Density Functional Yielding Accurate Structures and Energies of Diversely-Bonded Materials
Jianwei Sun, Richard C. Remsing, Yubo Zhang +9
Kohn-Sham density functional theory (DFT) is a widely-used electronic structure theory for materials as well as molecules. DFT is needed especially for large systems, ab initio mol…
Comparative Study of Structural and Electronic Properties of Cu-based Multinary Semiconductors
Yubo Zhang, Xun Yuan, Xiudong Sun +3
We present a systematic and comparative study of the structural and electronic properties of Cu-based ternary and quaternary semiconductors using first-principles electronic struct…