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您的检索式：作者名="Junze Deng"
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| 1 | Unconventional phonon spectra and obstructed edge phonon modes显示文摘Based on the elementary band representations(EBR),many topologically trivial materials are classified as unconventional ones(obstructed atomic limit),where the EBR decomposition for a set of electronic states is not consistent with atomic valenceelectron band representations.In the work,we identify that the unconventional nature can also exist in phonon spectra,where the EBR decomposition for a set of well-separated phonon modes is not consistent with atomic vibration band representations(ABR).The unconventionality has two types:typeⅠis on an empty site;and typeⅡis on an atom site with non-atomic vibration orbitals.The unconventionality is described by the nonzero real-space invariant at the site.Our detailed calculations show that the black phosphorus(BP)has the typeⅠunconventional phonon spectrum,while 1H-Mo Se_(2)has the typeⅡone,although their electronic structures are also unconventional.Accordingly,the obstructed phonon modes are obtained for two types of unconventional phonon spectra. | Ruihan Zhang Haohao Sheng Junze Deng Zhong Fang Zhilong Yang Zhijun Wang | 2024 | Science China(Physics,Mechanics & Astronomy)2024，67，4： | 0 |
| 2 | Large Spin Hall Conductivity and Excellent Hydrogen Evolution Reaction Activity in Unconventional PtTe1.75 Monolayer显示文摘Two-dimensional(2D)materials have gained lots of attention due to the potential applications.In this work,we propose that based on first-principles calculations,the(2×2)patterned PtTe_(2)monolayer with kagome lattice formed by the well-ordered Te vacancy(PtTe_(1.75))hosts large and tunable spin Hall conductivity(SHC)and excellent hydrogen evolution reaction(HER)activity.The unconventional nature relies on the A1@1b band representation of the highest valence band without spin–orbit coupling(SOC).The large SHC comes from the Rashba SOC in the noncentrosymmetric structure induced by the Te vacancy.Even though it has a metallic SOC band structure,theℤ_(2)invariant is well defined because of the existence of the direct bandgap and is computed to be nontrivial.The calculated SHC is as large as 1.25×10^(3)h/e(Ωcm)^(−1)at the Fermi level(EF).By tuning the chemical potential from EF−0.3 to EF+0.3 eV,it varies rapidly and monotonically from−1.2×10^(3)to 3.1×10^(3)h/e(Ωcm)^(−1)In addition,we also find that the Te vacancy in the patterned monolayer can induce excellent HER activity.Our results not only offer a new idea to search 2D materials with large SHC,i.e.,by introducing inversion–symmetry breaking vacancies in large SOC systems,but also provide a feasible system with tunable SHC(by applying gate voltage)and excellent HER activity. | Dexi Shao Junze Deng Haohao Sheng Ruihan Zhang Hongming Weng Zhong Fang Xing-Qiu Chen Yan Sun Zhijun Wang | 2023 | Research2023，，3： | 0 |
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