First-principles calculation of optical properties of germanium under pressure

Hao Chen; Min Li; Norhana Binti Arsad; Songhua Xie

doi:10.1117/12.2031874

15 October 2013 First-principles calculation of optical properties of germanium under pressure

Hao Chen, Min Li, Norhana Binti Arsad, Songhua Xie

Proceedings Volume 8924, Fourth Asia Pacific Optical Sensors Conference; 892408 (2013) https://doi.org/10.1117/12.2031874
Event: Asia Pacific Optical Sensors Conference 2013, 2013, Wuhan, China

Abstract

The absorption of Germanium (Ge) rises dramatically with decreased incident wavelength, in the absorption region of <1900nm, inversely no absorption of <1900nm, where the absorption would affect the measurement of refractive index. The band structure and optical properties of these crystals are calculated within the framework of density functional theory with local density approximation (DFT-LDA). The results show that the band gap is 0.571eV, which is closer to the experimental value as compared to Generalized Gradient Approximation (GGA) calculations. As the pressure increases from 0 to 2 GPa, restricted by experimental equipment, the indirect band gap increases linearly with the gradient of 4.29×10^-2 eV/GPa and the refractive index reduces linearly with the gradient of 5.903×10^-2/GPa.

Citation Download Citation

Hao Chen, Min Li, Norhana Binti Arsad, and Songhua Xie "First-principles calculation of optical properties of germanium under pressure", Proc. SPIE 8924, Fourth Asia Pacific Optical Sensors Conference, 892408 (15 October 2013); https://doi.org/10.1117/12.2031874

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