Structural, electronic, and optical properties of Mn4Si7

Y. Gao; R. S. Chen; M. Y. Zhou; M. A. Lourenco; K. P. Homewood; G. Shao

doi:10.1117/12.792271

11 March 2008 Structural, electronic, and optical properties of Mn₄Si₇

Y. Gao, R. S. Chen, M. Y. Zhou, M. A. Lourenco, K. P. Homewood, G. Shao

Proceedings Volume 6984, Sixth International Conference on Thin Film Physics and Applications; 69840F (2008) https://doi.org/10.1117/12.792271
Event: Sixth International Conference on Thin Film Physics and Applications, 2007, Shanghai, China

Abstract

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.

Citation Download Citation

Y. Gao, R. S. Chen, M. Y. Zhou, M. A. Lourenco, K. P. Homewood, and G. Shao "Structural, electronic, and optical properties of Mn₄Si₇", Proc. SPIE 6984, Sixth International Conference on Thin Film Physics and Applications, 69840F (11 March 2008); https://doi.org/10.1117/12.792271

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