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首页> 外文期刊>Scientific reports. >Correlation between band gap, dielectric constant, Young’s modulus and melting temperature of GaN nanocrystals and their size and shape dependences
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Correlation between band gap, dielectric constant, Young’s modulus and melting temperature of GaN nanocrystals and their size and shape dependences

机译：GaN纳米晶体的带隙，介电常数，杨氏模量和熔化温度之间的相关性及其尺寸和形状依赖性

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摘要

With structural miniaturization down to the nanoscale, the detectable parameters of materials no longer remain constant but become tunable. For GaN nanocrystals example, the band gap increases while the dielectric constant, Young’s modulus and melting temperature decrease with decreasing the solid size. Herein, we developed the models to describe the size and shape dependences of these seemingly uncorrelated parameters for GaN nanocrystals, based on our established thermodynamic model for cohesive energy of metallic nanocrystals. Consistency between our theoretical predictions and the corresponding experimental or simulated results confirms the accuracy of the developed models and indicates the essentiality of cohesive energy in describing the effects of size and shape on the physicochemical properties of different low-dimensional systems.
机译：随着结构的小型化下降到纳米级，材料的可检测参数不再保持恒定，而是变得可调谐。以GaN纳米晶体为例，随着固体尺寸的减小，带隙增加，而介电常数，杨氏模量和熔化温度降低。在此，我们基于已建立的金属纳米晶体内聚能的热力学模型，开发了用于描述这些看似不相关的GaN纳米晶体参数的尺寸和形状依赖性的模型。我们的理论预测与相应的实验或模拟结果之间的一致性证实了所开发模型的准确性，并指出了内聚能在描述尺寸和形状对不同低维系统的理化性质的影响方面的重要性。

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