Edge- and strain-induced band bending in bilayer-monolayer Pb<sub>2</sub>Se<sub>3</sub> heterostructures*

Fan, Peng; Qian, Guojian; Wang, Dongfei; Li, En; Wang, Qin; Chen, Hui; Lin, Xiuping; Gao, Hongjun

doi:10.1088/1674-1056/abcf92

Cited by 7 publications

(8 citation statements)

References 32 publications

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“…Since the growth of 2D materials on substrates is often accompanied by strain, [35,36] we further investigate the atomic and electronic properties of monolayer CuHSe and CuLiSe with different strains. The biaxial strain is applied via changing the lattice parameters of the monolayers and then fully relaxing the atomic positions.…”

Section: Resultsmentioning

confidence: 99%

Band engineering of honeycomb monolayer CuSe via atomic modification*

Gao¹,

Zhang²,

Sun³

et al. 2021

Chinese Phys. B

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Two-dimensional monolayer copper selenide (CuSe) has been epitaxially grown and predicted to host the Dirac nodal line fermion (DNLF). However, the metallic state of monolayer CuSe inhibits the potential application of nanoelectronic devices in which a band gap is needed to realize on/off properties. Here, we engineer the band structure of monolayer CuSe which is an analogue of a p-doped system via external atomic modification in an effort to realize the semiconducting state. We find that the H and Li modified monolayer CuSe shifts the energy band and opens an energy gap around the Fermi level. Interestingly, both the atomic and electronic structures of monolayer CuHSe and CuLiSe are very different. The H atoms bind on top of Se atoms of monolayer CuSe with Se-H polar covalent bonds, annihilating the DNLF band of monolayer CuSe dominated by Se orbitals. In contrast, Li atoms prefer to adsorb at the hexagonal center of CuSe, preserving the DNLF band of monolayer CuSe dominated by Se orbitals, but opening band gaps due to a slight buckling of the CuSe layer. The realization of metal-to-semiconductor transition from monolayer CuSe to CuXSe (X = H, Li) as revealed by first-principles calculations makes it possible to use CuSe in future electronic devices.

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Section: Resultsmentioning

confidence: 99%

Band engineering of honeycomb monolayer CuSe via atomic modification*

Gao¹,

Zhang²,

Sun³

et al. 2021

Chinese Phys. B

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“…Strain is an effective method to control the electronic properties of 2D materials. [34][35][36][37][38][39] In order to further study the regulation of strain on the 2D P2, we conduct a study on the regulation of strain on electronic properties. Firstly, we conduct a study on the adjustment of the electronic properties of the 2D structure by uniaxial strain along the a direction, as shown in Fig.…”

Section: Resultsmentioning

confidence: 99%

A novel two-dimensional SiO sheet with high-stability, strain tunable electronic structure, and excellent mechanical properties*

Liu¹,

Du²

2021

Chinese Phys. B

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Using the structure search of particle swarm optimization (PSO) algorithm combined with density functional theory (DFT), we conduct a systematic two-dimensional (2D) material research on the SiO and discover a P2 monolayer structure. The phonon spectrum shows that the 2D P2 is dynamic-stable under ambient pressure. Molecular dynamics simulations show that 2D P2 can still exist stably at a high temperature of 1000 K, indicating that 2D P2 has application potential in high-temperature environments. The intrinsic 2D P2 structure has a quasi-direct band gap of 3.2 eV. The 2D P2 structure can be transformed into a direct band gap semiconductor by appropriate strain, and the band gap can be adjusted to the ideal band gap of 1.2 eV–1.6 eV for photovoltaic materials. These unique properties of the 2D P2 structure make it expected to have potential applications in nanomechanics and nanoelectronics.

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“…Patterned transition metal chalcogenides such as 2Dpatterned PtSe 2 , CuSe and 1D-patterned VSe 2 can be used as templates for selective adsorption of nanoclusters, molecules, or atoms in order to realize selective functionalization. The atomic-level precise control in materials' epitaxial growth, combined with in-situ characterization techniques including STM, will lead to the discovery of many other unexpected 2D transition metal chalcogenides with novel structures and interesting properties [106]. In addition, there are many open questions about 2D transition metal chalcogenides, which deserve further investigations in future.…”

Section: Discussionmentioning

confidence: 99%

Novel two-dimensional transition metal chalcogenides created by epitaxial growth

Zhang

Lin

et al. 2021

Sci. China Phys. Mech. Astron.

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Two-dimensional (2D) materials have been a very important field in condensed matter physics, materials science, chemistry, and electronics. In a variety of 2D materials, transition metal chalcogenides are of particular interest due to their unique structures and rich properties. In this review, we introduce a series of 2D transition metal chalcogenides prepared by epitaxial growth. We show that not only 2D transition metal dichalcogenides can be grown, but also the transition metal chalcogenides that do not have bulk counterparts, and even patterned transition metal chalcogenides can be fabricated. We discuss the formation mechanisms of the novel structures, their interesting properties, and potential applications of these 2D transition metal chalcogenides. Finally, we give a summary and some perspectives on future studies.

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Edge- and strain-induced band bending in bilayer-monolayer Pb₂Se₃ heterostructures*

Cited by 7 publications

References 32 publications

Band engineering of honeycomb monolayer CuSe via atomic modification*

Band engineering of honeycomb monolayer CuSe via atomic modification*

A novel two-dimensional SiO sheet with high-stability, strain tunable electronic structure, and excellent mechanical properties*

Novel two-dimensional transition metal chalcogenides created by epitaxial growth

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Edge- and strain-induced band bending in bilayer-monolayer Pb2Se3 heterostructures*

Cited by 7 publications

References 32 publications

Band engineering of honeycomb monolayer CuSe via atomic modification*

Band engineering of honeycomb monolayer CuSe via atomic modification*

A novel two-dimensional SiO sheet with high-stability, strain tunable electronic structure, and excellent mechanical properties*

Novel two-dimensional transition metal chalcogenides created by epitaxial growth

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Edge- and strain-induced band bending in bilayer-monolayer Pb₂Se₃ heterostructures*