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Quantum diffusion in bilateral doped chains
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作者 金福报 张凯旺 钟建新 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第7期345-350,共6页
In this paper, we quantitatively study the quantum diffusion in a bilateral doped chain, which is randomly doped on both sides. A tight binding approximation and quantum dynamics are used to calculate the three electr... In this paper, we quantitatively study the quantum diffusion in a bilateral doped chain, which is randomly doped on both sides. A tight binding approximation and quantum dynamics are used to calculate the three electronic characteristics: autocorrelation function C(t), the mean square displacement d(t) and the participation number P(E) in different doping situations. The results show that the quantum diffusion is more sensitive to the small ratio of doping than to the big one, there exists a critical doping ratio qo, and C(t), d(t) and P(E) have different variation trends on different sides of qo. For the self-doped chain, the doped atoms have tremendous influence on the central states of P(E), which causes the electronic states distributed in other energy bands to aggregate to the central band (E = 0) and form quasi-mobility edges there. All of the doped systems experience an incomplete transition of metal-semiconductor-metal. 展开更多
关键词 quantum diffusion doped chain metal semiconductor transition
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碳纳米管内Ni纳米线的螺旋度与热稳定性研究 被引量:2
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作者 杜玉光 张凯旺 +2 位作者 彭向阳 金福报 钟建新 《物理学报》 SCIE EI CAS CSCD 北大核心 2012年第17期371-377,共7页
本文采用分子动力学模拟方法研究了扶手型碳纳米管包裹Ni纳米线的复合结构,主要讨论内部Ni纳米线的螺旋度和热稳定性.结果表明,Ni纳米线为多壳层螺旋结构,各壳层是由多条Ni原子链螺旋而成,不同层的螺旋度不同,内层的螺旋度明显大于外层... 本文采用分子动力学模拟方法研究了扶手型碳纳米管包裹Ni纳米线的复合结构,主要讨论内部Ni纳米线的螺旋度和热稳定性.结果表明,Ni纳米线为多壳层螺旋结构,各壳层是由多条Ni原子链螺旋而成,不同层的螺旋度不同,内层的螺旋度明显大于外层.当每层的Ni原子链条数为3的整数倍时,其螺旋度最大.Ni纳米线的螺旋度与碳纳米管的管径相关,各层螺旋度的大小随管径的增加有明显的周期性变化.碳纳米管对Ni纳米线有很好的保护作用,即使是高温对Ni纳米线的结构及螺旋度也影响很小. 展开更多
关键词 NI纳米线 碳纳米管 分子动力学
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