Effects of hydrogenation and strain on the electronic properties of armchair PtS2 nanoribbons

Electronic structures and transport in armchair PtS 2 nanoribbons are studied based on the density functional theory. Bare nanoribbons are magnetic metal with strong negative differential resistance (NDR). In an environment of low hydrogen concentration, the nanoribbons convert to the magnetic semic...

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Bibliographic Details
Published in:Applied nanoscience 2021-05, Vol.11 (5), p.1737-1746
Main Authors: Wang, Fu-Yong, Wang, Xue-Feng
Format: Article
Language:English
Subjects:
Chemistry and Materials Science
Density functional theory
Electronic properties
Energy gap
Hydrogenation
Magnetic semiconductors
Magnetism
Materials Science
Membrane Biology
Nanochemistry
Nanoribbons
Nanotechnology
Nanotechnology and Microengineering
Nanotechnology devices
Original Article
Resistance
Wave functions
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Summary:Electronic structures and transport in armchair PtS 2 nanoribbons are studied based on the density functional theory. Bare nanoribbons are magnetic metal with strong negative differential resistance (NDR). In an environment of low hydrogen concentration, the nanoribbons convert to the magnetic semiconductor. The conductance becomes negligible under a bias below 1 V due to the mismatch of wave functions between edge and bulk states. However, a transition from magnetic semiconductor to nonmagnetic metal can occur if a strain of 7% is applied. The stretched nanoribbons then become conductive again with an even stronger NDR. The hydrogen concentration can be used to further modulate the energy gap, the edge magnetism, and conductivity by varying the adsorbed H atoms on the edge. Our study highlights the potential of armchair PtS 2 nanoribbons for spintronic nanodevices controlled by both strain and hydrogenation.
ISSN:2190-5509
2190-5517
DOI:10.1007/s13204-021-01834-3