Width dependent structural and electrical properties of zigzag ZnTe nanoribbons

Das, Monoj; Gupta, Bikash C.

doi:10.1016/j.physleta.2018.11.045

Cited by 4 publications

(2 citation statements)

References 52 publications

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“…The edge passivation strongly affects the position of the Fermi level ( E F ), which directly leads to the modulation in the WF value. ,, Thus, the WF value and the energy of the Fermi level for the H-, F-, and Cl-passivated ABe 3 N 2 -n NRs are provided in Table S1 of the Supporting Information. The H-, F-, and Cl-passivation strongly affects the Fermi level position of NRs and ultimately the value of the WF.…”

Section: Results and Discussionmentioning

confidence: 99%

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices

Dey

Baraiya

Adhikary

et al. 2020

ACS Appl. Nano Mater.

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First-principles calculations are carried out to address the structural stability and width-dependent electronic properties of the hydrogen (H)-, fluorine (F)-, and chlorine (Cl)-passivated armchair and zigzag nanoribbons (NRs) of beryllium nitride (Be3N2). The negative value of cohesive and edge formation energies implies the thermodynamic stability of NRs. With regard to the electronic properties, all NRs are direct band gap semiconductors and the band gap (ranging from 2.0 to 3.78 eV) strongly depends on the edge functionalization. The band gap inversely varies with the ribbon width for H-passivated NRs. Interestingly, band gap is almost width-independent for the F- and Cl-passivated NRs. The edge asymmetric effect (σ and π* orbitals) causes the lower band gap in F- and Cl-passivated NRs. The significant orbital contribution of atoms is analyzed from the projected density of states and partial charge density plots of the valence band maximum and conduction band minimum. The work function (WF) of NRs is quite sensitive to edge functionalization and confirms the tunable emission behavior of the electrons. The adjustable band gap and the WF of NRs approve their efficient applications in nanoelectronics such as field-emission and optoelectronic devices.

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Section: Results and Discussionmentioning

confidence: 99%

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices

Dey

Baraiya

Adhikary

et al. 2020

ACS Appl. Nano Mater.

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“…In general, the main techniques to access monolayer and few-layer structures from layered bulk materials are liquid phase exfoliation [40] and mechanical cleavage [41]. According to the experiments done by the researchers, monolayer ZnTe may be stabilized by passivating the edge atoms with Hydrogen, Oxygen or Fluorine atoms [42]. Kumar et al prepared CdTe/CdSe heterostructure and monolayer CdSe by physical vapor deposition technique [43].…”

Section: Structure and Stabilitymentioning

confidence: 99%

The structural, electronic and optical properties of ZnTe/CdSe/GaSb heterotrilayer: first-principles study

Zhou

2021

J. Phys. D: Appl. Phys.

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Herein, we carry out a density functional theory based investigation to understand the structural and electrical properties, such as band structure, partial density of states, electron density difference and optical properties of the ZnTe/CdSe/GaSb heterotrilayer. The results show that the stacking order and interlayer distance will affect the stability of the structure. The stacking order of monolayer ZnTe, CdSe and GaSb is the most stable (C structure), with the direct bandgap is only 0.210 eV. The heterostructure has a strong binding force which may be due to the local atomic orbital hybridization. In addition, the ZnTe/CdSe/GaSb heterotrilayer has excellent optical properties in ultraviolet, visible and infrared regions, and has stronger absorption ability for visible light compared to each monolayer. Finally, compared with the ZnTe/CdSe, ZnTe /GaSb and CdSe/GaSb, heterobilayers show that the heterotrilayer has smaller direct bandgap, and has better photoelectric properties. The ZnTe/CdSe/GaSb heterotrilayer has a stable structure and excellent photoelectric performance, which has good potential and wide application prospects in nano electronic devices, photoelectric devices, visible light absorption, photocatalysis, infrared light conversion and detection.

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First-principles study of electronic and optical properties of defective sawtooth penta-graphene nanoribbons

Tiên

Thảo

Thuan

et al. 2022

Computational Materials Science

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Width dependent structural and electrical properties of zigzag ZnTe nanoribbons

Cited by 4 publications

References 52 publications

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices

The structural, electronic and optical properties of ZnTe/CdSe/GaSb heterotrilayer: first-principles study

First-principles study of electronic and optical properties of defective sawtooth penta-graphene nanoribbons

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Width dependent structural and electrical properties of zigzag ZnTe nanoribbons

Cited by 4 publications

References 52 publications

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be3N2 Nanoribbons: Implications for Nanoelectronic Devices

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be3N2 Nanoribbons: Implications for Nanoelectronic Devices

The structural, electronic and optical properties of ZnTe/CdSe/GaSb heterotrilayer: first-principles study

First-principles study of electronic and optical properties of defective sawtooth penta-graphene nanoribbons

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First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices

First-Principles Calculations of the Effects of Edge Functionalization and Size on the Band Gap of Be₃N₂ Nanoribbons: Implications for Nanoelectronic Devices