Boron and aluminium doping in SiC and its passivation by hydrogen

被引:12
作者
Deák, P [1 ]
Aradi, B [1 ]
Gali, A [1 ]
机构
[1] Budapest Univ Technol & Econ, Dept Atom Phys, H-1111 Budapest, Hungary
关键词
D O I
10.1088/0953-8984/13/40/318
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
Extensive calculations regarding the formation energy of interstitial hydrogen and hydrogen-vacancy complexes in different charge states have been carried out using the local density approximation to ab initio density functional theory with a plane-wave basis and norm-conserving pseudopotentials. on supercells of cubic (K) SiC. Based on these results the hydrogen concentration of as-grown or H-plasma treated SiC is estimated and its effect on the net carrier concentration is given. Incorporation of B and Al in or without the presence of hydrogen has been investigated in hexagonal (4H) SiC supercells. The possible origins of the shallow and deep boron acceptors is discussed. It is found that the presence of boron promotes hydrogen incorporation during growth in the form of passive B + H complexes. The same is not true for AL If Al + H complexes are formed (say, after H-plasma treatment), the structure of this complex is different from that of the B + H complexes. The calculated difference between the dissociation energies is 0.9 eV.
引用
收藏
页码:9019 / 9026
页数:8
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