Quantum diffusion in bilateral doped chains

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...

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Published inChinese physics B Vol. 20; no. 7; pp. 345 - 350
Main Author 金福报 张凯旺 钟建新
Format Journal Article
LanguageEnglish
Published 01.07.2011
Subjects
Approximation
Autocorrelation functions
Binding
Diffusion
Doping
Electronics
Energy bands
Mathematical analysis
动力学计算
双边
掺杂比例
紧束缚近似
自相关函数
过渡金属
量子扩散
链
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Summary: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.
Bibliography:Jin FU-Bao, Zhang Kai-Wang, Zhong Jian-Xin Department of Physics, Xiangtan University, Xiangtan 411105, China
quantum diffusion, doped chain, metal semiconductor transition
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.
11-5639/O4
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ISSN:1674-1056
2058-3834
DOI:10.1088/1674-1056/20/7/076701