[19a-A31-1~11] 17.3 Layered materials

11:00 AM - 11:15 AM JST(2:00 AM - 2:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation Award

[19a-A31-8] Theoretical study on critical size and shape of hBN island on Cu(111) in CVD growth

〇(M2)Ryo Imamura¹, Hiroyuki Kageshima¹ (1.Shimane Univ.)

Keywords:

hexagonal boron nitride,CVD growth,the first-principles calculation

We have studied the size at which hBN islands begin to grow spontaneously, i.e., the critical size, and the shape of the initially grown nucleus for hBN on Cu(111), assuming CVD, using first-principles calculations. As a result, we found that critical size of triangular-shape with N edge tend to be smaller and spontaneously grow in the range of chemical potential we defined. On the other hand, we found that the hBN islands on Cu(111) are not ideally flat but curled into a dome shape. Therefore, it is relavant to search growth condition such that critical size of trinagle hBN with N edge is maximized.