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中国物理学会期刊

单层InN在多向应变下的结构演化与电子性质

Structural Evolution and Electronic Properties of Monolayer InN under Multidirectional Strain

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  • 二维氮化铟(InN)在柔性电子领域具有广阔的应用前景.在实际应用中,该材料会受到多种形式的应变作用,从而影响其性能.因此,理解其在各种应变条件下的结构和电子演化,对于推动其实际应用具有重要意义.利用第一性原理计算方法,系统研究了单层InN在不同应变模式下的力学与电子响应行为.研究表明,InN的面内特性呈现显著的各向异性,这源于不同晶向的键合特性.大的应变可以减小带隙,直至发生半导体-金属转变.本研究揭示了变形单层InN在复杂应变下的结构演化机制与规律,为应变工程半导体器件的开发提供了重要的理论依据.

     

    Two-dimensional indium nitride (InN) exhibits promising application prospects in flexible electronics owing to its attractive intrinsic properties. In practical applications, materials are inevitably subjected to various types of strain induced by substrates, defects, and other factors, which significantly modifies their properties. Therefore, elucidating the structural and electronic evolution of InN under diverse strain conditions is critical for promoting its practical applications. Using first-principles calculations, we systematically investigate the mechanical and electronic responses of monolayer InN under complex strain conditions, including various strain modes and combined strain configurations along different crystallographic directions. Our results demonstrate that the in-plane properties of InN show pronounced anisotropy, originating from the orientation-dependent bonding characteristics along different in-plane crystallographic directions. Strain can effectively modulate the bandgap of the structure while deforming its crystal geometry. With increasing strain, the bandgap gradually decreases, and sufficiently large strain along specific directions induces a semiconductor-to-metal transition. By combining different strain loading schemes, we identify mechanical and electronic responses distinct from those under pure strain, implying the complexity and tunability of strain-governed behaviors. This work reveals the structural evolution mechanisms of monolayer InN under complex strain conditions, providing significant theoretical guidance for the design and development of InN-based strain-engineered semiconductor devices.

     

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