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用基于密度泛函理论平面波赝势法首先对六方AlN本征点缺陷(氮空位、铝空位、氮替代铝、铝替代氮、氮间隙、铝间隙)存在时的晶格结构进行优化,得到其稳定结构;然后通过各缺陷形成能的计算可得知其在生长过程中形成的难易程度;最后从态密度的角度对各种本征点缺陷引起的缺陷能级及电子占据情况进行了分析.发现除氮空位外其他本征缺陷在带隙中形成的能级都很深,要得到n型或p型AlN必须要引入外来杂质.计算得到的本征缺陷能级对于分析AlN的一些非带边辐射机理有重要帮助.
关键词:
六方AlN
形成能
缺陷能级
态密度 相似文献
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Utilizing restriction endonuclease mapping and blot bybridization, we have determined the arrangement of the α-globin genes in a Chinese family. The father and mother had no obvious α-thalassemia symptoms, but their twin daughters suffered from HbH disease. The gene analysis showed that the mother had three α-globin genes in one chromosome and no α-globin gene in the other (ααα/--), the father was a heterozygote of α-thal2 (αα/-α). Their twin daughters were double heterozygotes of α-thall and the rightward deletion genotype α-thal2 (--/-α) 相似文献
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