Intrinsic negative Poisson's ratio of the monolayer semiconductorß-TeO2.
J Phys Condens Matter
; 36(30)2024 May 03.
Article
em En
| MEDLINE
| ID: mdl-38653326
ABSTRACT
Monolayer semiconductors with unique mechanical responses are promising candidates for novel electromechanical applications. Here, through first-principles calculations, we discover that the monolayerß-TeO2, a high-mobilityp-type and environmentally stable 2D semiconductor, exhibits an unusual out-of-plane negative Poisson's ratio (NPR) when a uniaxial strain is applied along the zigzag direction. The NPR originates from the unique six-sublayer puckered structure and hinge-like Te-O bonds in the 2Dß-TeO2. We further propose that the sign of the Raman frequency change under uniaxial tensile strain could assist in determining the lattice orientation of monolayerß-TeO2, which facilitates the experimental study of the NPR. Our results is expected to motivate further experimental and theoretical studies of the rich physical and mechanical properties of monolayerß-TeO2.
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MEDLINE
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En
Ano de publicação:
2024
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Article