Theoretic study of the structures and electric properties of N-doped InSb nanoclusters

机译：N掺杂INSB纳米能器结构和电性能的理论研究

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The first-principle quantum mechanical method was used to investigate the structures and electric properties of N-doped. Doping of N atom to clusters is found to be energetically quite favorable except for n=16. Different from bulk material, the LUMO-HOMO energy gaps of the In_nSb_n (n=6-12,14,16,24) clusters are enlarged by doping of N. The analysis of the electron density of the HOMO and LUMO states was performed to understand the behavior.

机译：使用第一原理量子力学方法来研究N掺杂的结构和电性能。除了n = 16外，发现N原子对集群的掺杂能够充满活力。与散装材料不同，通过N的掺杂扩大了in_nsb_n（n = 6-12,14,16,24）簇的Lumo-homo能量间隙。对HOMO和LUMO状态的电子密度分析进行了扩大了解行为。

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来源
《Annual Conference of the Chinese Society of Micro-Nano Technology》|2011年||共5页
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作者
Jian-Ning Ding; Ning-Yi Yuan; Xiu-Qin Wang;
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原文格式 PDF
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中图分类 TB3-532;
关键词
nanoclusters; InSb; N-doping; structures; electric properties;

机译：纳米团簇;insb;n-oping;结构;电性能;

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Theoretic study of the structures and electric properties of N-doped InSb nanoclusters

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