115 citations · 790 across the 51 of their papers we have counts for
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Hexagonal InOI monolayer: a 2D phase-change material combining topological insulator states and piezoelectricity
Wenhui Wan, Xinyue Liu, Yanfeng Ge +2
Two-dimensional (2D) phase-change materials (PCMs) with moderate transition barriers and distinctly contrasting properties are highly desirable for multifunctional devices, yet suc…
Near-room-temperature antiferromagnetism in Janus FeF ( = O, S) monolayers
Xixiang Zhang, Busheng Wang, Yanfeng Ge +2
Inspired by the recently synthesized hexagonal layered phase of FeF, we studied the magnetic properties of the 1T-FeF monolayer and its Janus FeF ( = O, S) derivative…
Integration of promising piezoelectric and photocatalytic properties in Janus In ( = S, Se, Te; = Cl, Br, I) monolayers and their heterojunctions
Xinyue Liu, Ziqiang Li, Yanfeng Ge +3
Two-dimensional (2D) Janus materials show great promise as piezoelectric materials and photocatalysts for water splitting. In this work, we systematically investigated the piezoele…
First principles study on the oxidation resistance of two-dimensional intrinsic and defective GeO2
Xixiang Zhang, Xinmei Yu, Liang Ma +3
Although two-dimensional (2D) oxide semiconductors exhibit remarkable oxidation resistance compared to conventional 2D materials, the microscopic physical processes that govern thi…
Relativistic Calculations of Energy Levels, Field Shift Factors, and Polarizabilities of Mercury and Copernicium
Hongxu Liu, Jize Han, Yanmei Yu +3
Mercury (Hg) and superheavy element copernicium (Cn) are investigated using equation-of-motion relativistic coupled-cluster (EOM-RCC) and configuration interaction plus many-body p…
SeWS/bilayer-SiC heterojunction: An S-scheme photocatalyst with high visible-light absorption, excellent carrier mobility and adjustable band gap
Liuzhu Yang, Wenhui Wan, Zhicui Wang +3
Vertically stacked heterojunctions have garnered significant attention for their tunable electronic structures and photocatalytic performance, making them promising candidates for…
Relativistic configuration-interaction and coupled-cluster calculations of Ir transition energies and properties for optical clock applications
H. X. Liu, Y. M. Yu, B. B. Suo +2
The transition energies and properties of the Ir ion are calculated using the Kramers-restricted configuration-interaction (KRCI) and Fock-space coupled-cluster (FSCC) meth…