Presentation Information
[19p-P01-53]Analysis of initial CVD growth process for hBN using the first-principles calculation and difference in results by vdW methods
〇(M1)Ryo Imamura1, Hiroyuki Kageshima1 (1.Shimane Univ.)
Keywords:
hBN,CVD growth,the first-principles calculation
It is convenient to form hBN by the CVD growth method because we can easily make two-dimensional heterostructures and keep costs down. However, it is important to elucidate the mechanism of hBN growth, such as the triangular (N-edge) growth. Therefore, we attempt to analyze the events occurring during the growth process. In this presentation, we report the results of theoretical study by the first-principles calculation using the program package PHASE for the three basic things as preparation for the detail studies.