Different roles of a boron substitute for carbon and silicon in β-SiC

Yan Zhou; Kun Wang; Xiao Yong Fang; Zhi Ling Hou; Hai Bo Jin; Mao Sheng Cao

doi:10.1088/0256-307X/29/7/077102

Different roles of a boron substitute for carbon and silicon in β-SiC

Yan Zhou, Kun Wang, Xiao Yong Fang^*, Zhi Ling Hou, Hai Bo Jin, Mao Sheng Cao

^*Corresponding author for this work

School of Material Science and Engineering

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

3 Citations (Scopus)

Abstract

The first-principles numerical simulation is employed to calculate the effect of replacement of carbon and silicon with boron on the electronic structure and optical properties of β-SiC. Mulliken analysis shows that the B impurity bond lengths shrink in the case of B_Si, while they expand with reference to B_C. In addition, B_Si contains C - C, Si - Si and B - Si bonds. The calculated results show that the two systems of B_C and B_Si apply different dispersion. B_C is in accordance with the Lorentz dispersion theory while B_Si follows the Drude dispersion theory. Theoretic analysis and quantitative calculation are used for conductivity spectra in the infrared region.

Original language	English
Article number	077102
Journal	Chinese Physics Letters
Volume	29
Issue number	7
DOIs	https://doi.org/10.1088/0256-307X/29/7/077102
Publication status	Published - Jul 2012

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title = "Different roles of a boron substitute for carbon and silicon in β-SiC",

abstract = "The first-principles numerical simulation is employed to calculate the effect of replacement of carbon and silicon with boron on the electronic structure and optical properties of β-SiC. Mulliken analysis shows that the B impurity bond lengths shrink in the case of BSi, while they expand with reference to BC. In addition, BSi contains C - C, Si - Si and B - Si bonds. The calculated results show that the two systems of BC and BSi apply different dispersion. BC is in accordance with the Lorentz dispersion theory while BSi follows the Drude dispersion theory. Theoretic analysis and quantitative calculation are used for conductivity spectra in the infrared region.",

author = "Yan Zhou and Kun Wang and Fang, {Xiao Yong} and Hou, {Zhi Ling} and Jin, {Hai Bo} and Cao, {Mao Sheng}",

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doi = "10.1088/0256-307X/29/7/077102",

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T1 - Different roles of a boron substitute for carbon and silicon in β-SiC

AU - Zhou, Yan

AU - Wang, Kun

AU - Fang, Xiao Yong

AU - Hou, Zhi Ling

AU - Jin, Hai Bo

AU - Cao, Mao Sheng

PY - 2012/7

Y1 - 2012/7

N2 - The first-principles numerical simulation is employed to calculate the effect of replacement of carbon and silicon with boron on the electronic structure and optical properties of β-SiC. Mulliken analysis shows that the B impurity bond lengths shrink in the case of BSi, while they expand with reference to BC. In addition, BSi contains C - C, Si - Si and B - Si bonds. The calculated results show that the two systems of BC and BSi apply different dispersion. BC is in accordance with the Lorentz dispersion theory while BSi follows the Drude dispersion theory. Theoretic analysis and quantitative calculation are used for conductivity spectra in the infrared region.

AB - The first-principles numerical simulation is employed to calculate the effect of replacement of carbon and silicon with boron on the electronic structure and optical properties of β-SiC. Mulliken analysis shows that the B impurity bond lengths shrink in the case of BSi, while they expand with reference to BC. In addition, BSi contains C - C, Si - Si and B - Si bonds. The calculated results show that the two systems of BC and BSi apply different dispersion. BC is in accordance with the Lorentz dispersion theory while BSi follows the Drude dispersion theory. Theoretic analysis and quantitative calculation are used for conductivity spectra in the infrared region.

UR - http://www.scopus.com/inward/record.url?scp=84864193500&partnerID=8YFLogxK

U2 - 10.1088/0256-307X/29/7/077102

DO - 10.1088/0256-307X/29/7/077102

M3 - Article

AN - SCOPUS:84864193500

SN - 0256-307X

VL - 29

JO - Chinese Physics Letters

JF - Chinese Physics Letters

IS - 7

M1 - 077102

ER -

Different roles of a boron substitute for carbon and silicon in β-SiC

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