First-principles studies on the superconductivity of aluminene

Yeoh, Keat Hoe and Yoon, Tiem Leong and Rusi, - and Ong, Duu Sheng and Lim, Thong Leng (2018) First-principles studies on the superconductivity of aluminene. Applied Surface Science, 445. pp. 161-166. ISSN 0169-4332, DOI

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Group III mono-elemental two-dimensional (2D) materials have been an active area of research since the experimental demonstration of monolayer boron. Using first-principles calculations, we predict a new type of buckled monolayer aluminum (aluminene) which exhibits metallic characteristics. From the phonon dispersion and cohesive energy calculations, the free-standing aluminene is structurally stable. The stability of the aluminene is maintained under tensile strain up to 7%. In contrast, the stability of the structure is not preserved in the presence of compressive strain. We also carried out a systematic analysis on the electron–phonon coupling in the aluminene structure and found that aluminene in its pristine form can superconduct with superconductivity critical temperature, Tc of 6.5 K. The Tc is further enhanced to 11.9 K with the presence of 7% bi-axial tensile strain. Our calculations show that the higher Tc is because of stronger electron–phonon coupling resulted from the increase of density of states at Fermi level with tensile strain.

Item Type: Article
Funders: MOHE under grant number FRGS/1/2017/STG07/UTAR/02/2, IUMW under grant number IUMW/RGOFFER_LETTER/ARI/17(5)
Additional Information: Dr. Rusi. Center of Foundation Studies, International University of Malaya-Wales, 50480 Kuala Lumpur, Malaysia.
Uncontrolled Keywords: Aluminene; Superconductivity; First-principles calculation
Subjects: T Technology > TK Electrical engineering. Electronics Nuclear engineering
Divisions: Centre for Foundation Studies in Science
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 12 Feb 2019 09:06
Last Modified: 12 Feb 2019 09:06

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