Please use this identifier to cite or link to this item:
Title: Highly stable electronic properties of rippled antimonene under compressive deformation
Authors: Tian, Yujia
Kripalani, Devesh R.
Xue, Ming
Li, Shaofan
Zhou, Kun
Keywords: Engineering::Mechanical engineering
Issue Date: 2022
Source: Tian, Y., Kripalani, D. R., Xue, M., Li, S. & Zhou, K. (2022). Highly stable electronic properties of rippled antimonene under compressive deformation. Physical Review B, 105(3), 035308-.
Journal: Physical Review B
Abstract: Antimonene has attracted much attention for its high carrier mobility and suitable band gap for electronic, optoelectronic, and even spintronic devices. To tailor its properties for such applications, strain engineering may be adopted. However, such 2D crystals may prefer to exist in the rippled form due to the instability of long-range orders, and rippling has been shown to have a contrasting, significant impact on the electronic properties of various 2D materials, which complicates the tuning process. Hence, the effects of rippling on the electronic properties of antimonene under strain are herein investigated by comparing antimonene in its rippled and flat forms. DFT calculations are performed to compute the structural and electronic parameters, where uniaxial compression of up to 7.5% is applied along the armchair and zigzag directions to study the anisotropic behavior of the material. Highly stable properties such as the work function and band gap are obtained for the rippled structures, where they are fully relaxed, regardless of the compression level, and these properties do not deviate much from those of the pristine structure under no strain. In contrast, various changes are observed in their flat counterparts. The mechanisms behind the different results are thoroughly explained by analyses of the density of states and structure geometry. The out-of-plane dipole moments of the rippled structures are also presented to give further insights into potential applications of rippled antimonene in sensors, actuators, triboelectric nanogenerators, etc. This work presents extensive data and thorough analysis on the effect of rippling on antimonene. The identification of optimal ripple amplitudes for which the electronic properties of the pristine condition can be recovered will be highly significant in guiding the rational design and architecture of antimonene-based devices.
ISSN: 2469-9950
DOI: 10.1103/PhysRevB.105.035308
Schools: School of Mechanical and Aerospace Engineering 
Rights: © 2022 American Physical Society. All rights reserved. This paper was published in Physical Review B and is made available with permission of American Physical Society.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:MAE Journal Articles

Files in This Item:
File Description SizeFormat 
PhysRevB.105.035308.pdf3.46 MBAdobe PDFThumbnail

Citations 50

Updated on Nov 25, 2023

Web of ScienceTM
Citations 50

Updated on Oct 27, 2023

Page view(s)

Updated on Dec 1, 2023

Download(s) 50

Updated on Dec 1, 2023

Google ScholarTM




Items in DR-NTU are protected by copyright, with all rights reserved, unless otherwise indicated.