Strain-driven superplasticity of ultrathin tin (II) oxide films and the modulation of their electronic properties: A first-principles study

Two-dimensional-layered tin (II) oxide (SnO) has recently emerged as a promising bipolar channel material for thin-film transistors and complementary metal-oxide-semiconductor devices. In this paper, we present a first-principles investigation of the mechanical properties of ultrathin SnO as well as...

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Bibliographic Details
Published in:Physical review. B 2019-12, Vol.100 (21), p.1, Article 214112
Main Authors: Kripalani, Devesh R., Sun, Ping-Ping, Lin, Pamela, Xue, Ming, Zhou, Kun
Format: Article
Language:English
Subjects:
First principles
Interlayers
Mechanical properties
Metal oxides
Monolayers
Nanoelectronics
Nanotechnology devices
Orthorhombic phase
Oxide coatings
Semiconductor devices
Shear modulus
Structural integrity
Superplasticity
Tensile strain
Thin film transistors
Tin
Tin oxides
Work functions
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Summary:Two-dimensional-layered tin (II) oxide (SnO) has recently emerged as a promising bipolar channel material for thin-film transistors and complementary metal-oxide-semiconductor devices. In this paper, we present a first-principles investigation of the mechanical properties of ultrathin SnO as well as the electronic implications of tensile strain (ε) under both uniaxial and biaxial conditions. Bulk-to-monolayer transition is found to significantly lower the Young's and shear moduli of SnO, highlighting the importance of interlayer Sn-Sn bonds in preserving structural integrity. Unprecedentedly, few-layer SnO exhibits superplasticity under uniaxial deformation conditions with a critical strain to failure of up to 74% in the monolayer. Such superplastic behavior is ascribed to the formation of a tricoordinated intermediate (referred to here as h-SnO) beyond ε=14%, which resembles a partially-recovered orthorhombic phase with a relatively large work function and wide indirect band gap. The broad structural range of tin (II) oxide under strongly anisotropic mechanical loading suggests intriguing possibilities for realizing novel hybrid nanostructures of SnO through strain engineering. The findings reported in this study reveal fundamental insights into the mechanical behavior and strain-driven electronic properties of tin (II) oxide, opening up exciting avenues for the development of SnO-based nanoelectronic devices with new, nonconventional functionalities.
ISSN:2469-9950
2469-9969
DOI:10.1103/PhysRevB.100.214112