Proceedings of the 3rd International Conference on Material, Mechanical and Manufacturing Engineering

Study on the electronic structures and optical properties of -FeSi2 using the pseudopotential method

Authors
Qing Lin Qiu, Jun Jun Yuan, Hai Jing Cao, Yan Yan Zhu
Corresponding Author
Qing Lin Qiu
Available Online August 2015.
DOI
https://doi.org/10.2991/ic3me-15.2015.300How to use a DOI?
Keywords
FeSi2, first-principle, band structure, density of state
Abstract
Electronic structures and optical properties of bulk -FeSi2 are investigated in detail by first principles pseudo-potential methods based on the density function theory. The calculated results show that -FeSi2 is a quasidirect band gap material with gap value of 0.74eV. The density of states is mainly composed of Fe 3d and Si 3p states. The dielectric constant, absorption coefficient, and the conductivity are also given. The results are compared with previous theoretical calculation and the available experimental data.
Open Access
This is an open access article distributed under the CC BY-NC license.

Download article (PDF)

Proceedings
3rd International Conference on Material, Mechanical and Manufacturing Engineering (IC3ME 2015)
Part of series
Advances in Engineering Research
Publication Date
August 2015
ISBN
978-94-6252-100-1
ISSN
2352-5401
DOI
https://doi.org/10.2991/ic3me-15.2015.300How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Qing Lin Qiu
AU  - Jun Jun Yuan
AU  - Hai Jing Cao
AU  - Yan Yan Zhu
PY  - 2015/08
DA  - 2015/08
TI  - Study on the electronic structures and optical properties of -FeSi2 using the pseudopotential method
BT  - 3rd International Conference on Material, Mechanical and Manufacturing Engineering (IC3ME 2015)
PB  - Atlantis Press
SP  - 1560
EP  - 1565
SN  - 2352-5401
UR  - https://doi.org/10.2991/ic3me-15.2015.300
DO  - https://doi.org/10.2991/ic3me-15.2015.300
ID  - Qiu2015/08
ER  -