Electronic structure of random copolymers

Kyozaburo Takeda

doi:10.1007/BF01277568

Electronic structure of random copolymers

Kyozaburo Takeda^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

The electronic structure of random copolymers (RCP) is theoretically investigated by the single-site coherent potential approximation. The results are also compared with those by the band calculation for the corresponding ordered system. In the A_{1 -x}B_x binary RCP, a strong reduction in the system band gap (E_g(A_1-xB_x)) is found in the dilute B region when the system has the relation of E_g(A)>E_g(B). This dependence is caused by the asymmetric quenching in the density-of-states (DOS) singularity at the band-edge states. The gap-opening mechanism and the asymmetric quenching are discussed by focusing on the role of the spatial dimension on the electronic structure of the random system, and the theoretical treatment is finally applied to the calculation of the joint DOS for the Si-Ge RCP system.

Original language	English
Pages (from-to)	323-337
Number of pages	15
Journal	Journal of Mathematical Chemistry
Volume	15
Issue number	1
DOIs	https://doi.org/10.1007/BF01277568
Publication status	Published - 1994 Dec 1
Externally published	Yes

ASJC Scopus subject areas

Chemistry(all)
Applied Mathematics

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10.1007/BF01277568

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AB - The electronic structure of random copolymers (RCP) is theoretically investigated by the single-site coherent potential approximation. The results are also compared with those by the band calculation for the corresponding ordered system. In the A1 -xBx binary RCP, a strong reduction in the system band gap (Eg(A1-xBx)) is found in the dilute B region when the system has the relation of Eg(A)>Eg(B). This dependence is caused by the asymmetric quenching in the density-of-states (DOS) singularity at the band-edge states. The gap-opening mechanism and the asymmetric quenching are discussed by focusing on the role of the spatial dimension on the electronic structure of the random system, and the theoretical treatment is finally applied to the calculation of the joint DOS for the Si-Ge RCP system.

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Electronic structure of random copolymers

Abstract

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