Molecular dissociation of group-V hydrides on Si(001)

被引：17
|
作者：
McDonell, TL [1 ]
Marks, NA
Warschkow, O
Wilson, HF
Smith, PV
Radny, MW
机构：
[1] Univ Sydney, Sch Phys, Ctr Quatum Comp Technol, Sydney, NSW 2006, Australia
[2] Univ Newcastle, Sch Math & Phys Sci, Callaghan, NSW 2308, Australia
来源：
PHYSICAL REVIEW B | 2005年 / 72卷 / 19期
关键词：
D O I：
10.1103/PhysRevB.72.193307
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We present a comparative ab initio survey of possible dissociation products of NH3, PH3, and AsH3 on the Si(001) surface. In agreement with previous studies, we find that the relative energetics of XH3 and XH2 species (X=N, P, As) are common across all three systems. In contrast, the energetics of the onward dissociation into XH and X species differs markedly between nitrogen on the one hand, and phosphorus and arsenic on the other.
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页数：4
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