Construction of van der Waals substrates for largely mismatched heteroepitaxy systems using first principles

doi:10.1007/s11433-019-1448-3

CORC > 长春光学精密机械与物理研究所 > 中国科学院长春光学精密机械与物理研究所

	Construction of van der Waals substrates for largely mismatched heteroepitaxy systems using first principles
	Z.M.Shi; X.J.Sun; Y.P.Jia; X.K.Liu; S.L.Zhang; Z.B.Qi
刊名	Science China-Physics Mechanics & Astronomy
	2019
卷号	62 期号:12 页码:7
关键词	van der Waals epitaxy,2D materials,first principles,light-emitting-diodes,phase epitaxy growth,algan/gan hemts,boron-nitride,gan,graphene,layer,nanosheets,crystals,semiconductor,Physics
ISSN号	1674-7348
DOI	10.1007/s11433-019-1448-3
英文摘要	The high density of defects induced by large strains in largely mismatched heteroepitaxy systems, such as AlN and GaN, because of the large lattice and thermal mismatch between substrates and epilayers is the bottleneck problem. Graphene-assisted van der Waals (vdW) heteroepitaxy offers a new opportunity to resolve this problem. However, it suffers from the difficulty of nucleation. Here we theoretically assess the effects of five 2D materials for vdW heteroepitaxy of AlN and GaN, including graphene, hBN, MoS2, gC(3)N, and gC(3)N(4), and provide physical insights using first-principle calculations. MoS2 and gC(3)N exhibit significant potential to overcome the shortcomings of graphene owing to their appropriate binding strengths and Al (or Ga) diffusion barriers. Moreover, the interface behavior between the epilayers and the substrates are carefully analyzed. Our findings are helpful not only for obtaining high-quality AlN and GaN films but also for developing new criterions to discover effective 2D materials for vdW heteroepitaxy.
URL标识	查看原文
语种	英语
内容类型	期刊论文
源URL	[http://ir.ciomp.ac.cn/handle/181722/63076]
专题	中国科学院长春光学精密机械与物理研究所
推荐引用方式 GB/T 7714	Z.M.Shi,X.J.Sun,Y.P.Jia,et al. Construction of van der Waals substrates for largely mismatched heteroepitaxy systems using first principles[J]. Science China-Physics Mechanics & Astronomy,2019,62(12):7.
APA	Z.M.Shi,X.J.Sun,Y.P.Jia,X.K.Liu,S.L.Zhang,&Z.B.Qi.(2019).Construction of van der Waals substrates for largely mismatched heteroepitaxy systems using first principles.Science China-Physics Mechanics & Astronomy,62(12),7.
MLA	Z.M.Shi,et al."Construction of van der Waals substrates for largely mismatched heteroepitaxy systems using first principles".Science China-Physics Mechanics & Astronomy 62.12(2019):7.