关键词: 柔性基底/
过渡金属硫族化合物/
第一性原理计算/
线性弹性理论
English Abstract
Model and applications of transition metal dichalcogenides based compliant substrate epitaxy system
Zhou Yu-Zhi1,2,31.1. Institute of Applied Physics and Computational Mathematics, Beijing 100094, China;
2.2. Deng JiaXian Innovation Center, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China;
3.3. CAEP Software Center for High Performance Numerical Simulation, Beijing 100088, China
Fund Project:Project supported by the National Natural Science Foundation of China (Grant No. 91730302).Received Date:22 August 2018
Accepted Date:25 September 2018
Published Online:05 November 2018
Abstract:The concept of compliant substrate epitaxy was first proposed by the scientists engaged in crystal growth in the early 1990s. The core idea is to take advantage of such an ultra-thin substrate that the film and the substrate generate strain together to relieve the lattice mismatch during the epitaxy growth. The quality of the epitaxial film is improved due to the reduction of the mismatch dislocation density. However, the preparation of the artificial ultra-thin substrate with good quality requires rather complicated fabrication process. On the other hand, many transition metal dichalcogenides naturally form the compliant substrates, due to their layered structure and weak van der Waals interlayer interaction. In this paper, we introduce the transition metal dichalcogenides based compliant substrate epitaxy model and relevant applications. Through combining density functional theory, linear elasticity theory and dislocation theory, we introduce the model comprehensively by using the Au-MoS2 as a prototypical example. And we explain the experimental results of Au growing on MoS2 from the early transition electron microscopy. In addition, we introduce the experimental work related to the model, especially the Au-mediated exfoliation of large, monolayer and high-quality MoS2. Future directions and relevant important problems to be solved are also discussed.
Keywords: compliant substrate systems/
transition metal dichalcogenides/
first principle calculations/
linear elasticity theory
