46 citations · 87 across the 15 of their papers we have counts for
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Polarization Rotation Drives a Spin-Topological Transition in Ferroelectric Bismuth Monolayer
Jinming Zhai, Lingzhi Cao, Yateng Wang +4
Bismuth monolayer is the first two-dimensional elemental ferroelectric and an appealing platform for coupling polar order to spin-orbit-driven topology. However, its microscopic sw…
Hidden Chiral Ferroelectricity in AgNbO Perovskite
Ying Song, Lingzhi Cao, Jinming Zhai +4
AgNbO is a lead-free perovskite with considerable potential for energy storage and optoelectronic applications, yet its low-temperature crystal structure has remained controver…
Strong Intra- and Interchain Orbital Coupling Leads to Multiband and High Thermoelectric Performance in NaAu ( = P, As, Sb, and Bi)
Zhonghao Xia, Zhilong Yang, Yali Yang +2
The intrinsic coupling among electrical conductivity (), Seebeck coefficient (), and lattice thermal conductivity () imposes a fundamental limit on the dimens…
Synergetic Enhancement of Power Factors and Suppression of Lattice Thermal Conductivities via Biaxial Strain in ScAgSe and TmAgTe
Wu Xiong, Zhongjuan Han, Zhonghao Xia +2
The challenge of achieving high thermoelectric (TE) performance is mainly from the entanglement among Seebeck coefficient (), electrical conductivity (), and lattice thermal…
Hidden Moiré Topology of Low-Symmetry Weyl Surfaces
Cong Li, Zhilong Yang, Hongxiong Liu +11
Topological materials are defined by the correspondence between bulk topology and boundary states, yet this correspondence becomes enigmatic on low-symmetry surfaces where bulk and…
Forbidden p-d Orbital Coupling Accelerates High-Power-Factor Materials Discovery
Wu Xiong, Zhongjuan Han, Zhonghao Xia +2
The intrinsic entanglement between electrical conductivity () and the Seebeck coefficient () significantly constrains power factor (PF) enhancement in thermoelectric (TE) mat…
Superconductivity in unconventional metals
Zhilong Yang, Haohao Sheng, Zhaopeng Guo +5
Based on first-principles calculations, we demonstrate that 1H/2H-phase transition metal dichalcogenides MX2 (M=Nb,Ta; X=S,Se,Te) are unconventional metals, which have an empty-sit…
Unconventional phonon spectra and obstructed edge phonon modes
Ruihan Zhang, Haohao Sheng, Junze Deng +3
Based on the elementary band representations (EBR), some topologically trivial materials are classified as unconventional ones (obstructed atomic limit), where the EBR decompositio…
Direct Visualization and Manipulation of Tunable Quantum Well State in Semiconducting Nb2SiTe4
Jing Zhang, Zhilong Yang, Shuai Liu +12
Quantum well states (QWSs) can form at the surface or interfaces of materials with confinement potential. They have broad applications in electronic and optical devices such as hig…
A programmable Hamiltonian method and application to magnetic topological insulator MnBiTe
Guohui Zhan, Minji Shi, Zhilong Yang +1
In the band theory, first-principles calculations, the tight-binding method and the effective model are usually employed to investigate the electronic structure of conde…