期刊
JOURNAL OF APPLIED PHYSICS
卷 132, 期 1, 页码 -出版社
AIP Publishing
DOI: 10.1063/5.0094066
关键词
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资金
- National Natural Science Foundation of China (NNSFC) [91961101]
- Natural Science Youth Foundation of Henan Province of China [21010064]
- Doctoral Scientific Research Foundation of Henan University of Science and Technology [13480056]
The study shows that aMoSTe nanoribbons exhibit direct bandgap and magnetism under internal strain, with oscillation behavior of bandgaps, magnetic moments, and piezoelectric coefficients with increasing width, and the in-plane piezoelectric coefficient is dependent on edge type. Under external strain, changes in bandgap, magnetic moment, and polarization are solely influenced by the external strain, showing an increase in in-plane polarization with parabolic behavior.
Both the inner strain and external strain are considered to study the variation of structural, electronic, magnetic, and polarized properties of aMoSTe-nanoribbons (NRs). Our results show that the aMoSTe-NR presents direct bandgap and magnetism due to the inner strain. With the increase of width, the bandgaps, magnetic moments, and out-of-plane piezoelectronic coefficients present oscillation behavior independence of nanoribbon symmetry. However, the variation of in-plane piezoelectronic coefficients is strongly dependent on the edge type that the aMoSTe-NR with symmetric edges has larger piezoelectronic coefficients than that with asymmetric edges. When the external strain is applied to aMoSTe-NRs, the changes of bandgap, magnetic moment, and polarization are only influenced by the external strain, unrelative to the edge type. Especially, the in-plane polarization is increased accompanied with parabolic behavior in the range from 0 to 8%. The in-plane piezoelectric coefficient is enhanced to 14.072 x 10(-10) C m(-1) at 8%, about 2.7 times as much as aMoSTe-NRs without strain. The polarization along the out-of-plane direction presents linear character. The Born-effective charge indicates that the polarization of aMoSTe-NRs is mainly from S atoms near edge atoms. The significant variation provides guidance to the application of aMoSTe-NRs in designing electronic and piezoelectric devices. Published under an exclusive license by AIP Publishing.
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