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Structural, electronic, and optical properties of Mn4Si 7

Gao, Y, Chen, RS, Zhou, MY, Lourenco, MA, Homewood, KP and Shao, G (2008) Structural, electronic, and optical properties of Mn4Si 7 In: Sixth International Conference on Thin Film Physics and Applications (TFPA 2007), 2007-09-25 - 2007-09-28, Shanghai, China.

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Semiconducting high manganese silicides (HMS) have attracted great research interest in the past decades for potential applications as novel optoelectronic and photovoltaic devices integrated on Si chips. The fundamental electronic properties in HMS are still unclear, and the band-gap energy was reported to scatter from 0.42 eV to 0.98 eV in the past decades. In this work, single phase semiconducting Mn4Si7 precipitates and thin films have been synthesized by ion implantation. Optical absorption spectra obtained by transmission measurements demonstrated the existence of a direct band gap in all samples. The band gap values varied in the range of 0.77 eV to 0.93 eV, corresponding to varied strain states due to different microstructures. The electronic band structures of Mn4Si7 under different strain states have been theoretically investigated by means of a full-potential linear augmented plane wave method and compared with the experimental results. From ab initio calculations, the Mn4Si7 compound is found to be a pseudo-direct band-gap semiconductor with a fundamental gap increasing linearly with the compression along c- or a-axis. This trend is in good agreement with the experimental results.

Item Type: Conference or Workshop Item (UNSPECIFIED)
Divisions : Surrey research (other units)
Authors :
Gao, Y
Chen, RS
Zhou, MY
Shao, G
Date : 2008
DOI : 10.1117/12.792271
Depositing User : Symplectic Elements
Date Deposited : 17 May 2017 11:14
Last Modified : 23 Jan 2020 16:38

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