Epitaxial growth of cubic BN on diamond:: An ab initio study
Epitaxial growth of cubic BN on diamond:: An ab initio study
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DOI：
10.1143/jjap.43.7944
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发表时间：
2004-12-01
期刊：
影响因子：
--
通讯作者：
Ohno, T
中科院分区：
文献类型：
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作者：
Koga, H;Miyazaki, T;Ohno, T
本文用从头计算方法研究了立方氮化硼（cBN）在金刚石（001）表面迁移增强外延生长的可行性。特别地，我们关心的问题是应该首先进行B沉积还是N沉积。我们发现，不应该首先进行N沉积，因为由于N添加剂的解吸，很难在金刚石（001）上形成N单层。然后，我们表明，如果B沉积是可行的，因为第一和第二沉积层往往采取平坦的单层结构，而不受阻碍的N-2解吸，并且由于随后的生长过程是免费的衬底效应，除了小的晶格失配效应。
We examine the feasibility of migration-enhanced epitaxy (MEE) of cubic BN (cBN) on diamond(001) by means of ab initio calculation. In particular, we are concerned with the question as to whether B deposition or N deposition should be performed first. We show that N deposition should not be performed first, since it is difficult to form a monolayer of N on diamond(001) due to the desorption of N addimers. We then show that MEE is feasible if B deposition is performed first, since the first and second deposition layers tend to assume a flat monolayer structure, without being hindered by N-2 desorption, and since the subsequent growth process is free of the substrate effect, apart from the small lattice mismatch effect.