材料科学
热弹性阻尼
模板
外延
硅
光电子学
从头算
六方晶系
从头算量子化学方法
薄膜
结晶学
纳米技术
化学
热的
热力学
图层(电子)
物理
有机化学
分子
作者
Radek Roucka,YuJin An,A. V. G. Chizmeshya,John Tolle,John Kouvetakis,Vijay Richard D’Costa,J. Menéndez,Peter A. Crozier
摘要
High quality heteroepitaxial HfxZr1−xB2 (x=0–1) buffers were grown directly on Si(111). The compositional dependence of the film structure and ab initio elastic constants were used to show that hexagonal HfxZr1−xB2 possess tensile in-plane strain (0.5%) as grown. High quality HfB2 films were also grown on strain compensating ZrB2-buffered Si(111). Initial reflectivity measurements of thick ZrB2 films agree with first principles calculations which predict that the reflectivity of HfB2 increases by 20% relative to ZrB2 in the 2–8eV range. These tunable structural, thermoelastic, and optical properties suggest that HfxZr1−xB2 templates should be suitable for broad integration of III nitrides with Si.
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