α-Sn (gray tin) is a group-IV, zero-gap semiconductor with potential use in infrared detectors, necessitating a clear understanding of its dielectric properties. We report the first-principles calculations of the band structure and dielectric function of α-Sn using density functional theory, emphasizing the effects of strain, spin-orbit interaction, and pseudo-potentials on the electronic and optical properties of α-Sn in the infrared region (photon energy < 1eV). In α-Sn, spin-orbit coupling greatly influences the electronic band structure that leads to unusual optical behavior. We explain an apparently anomalous absorption at ∼ 0.41 eV caused by interbank transitions within the valence band. Infrared spectroscopic ellipsometry on several α-Sn films grown by molecular beam epitaxy validate our band-structure calculations. Our computational methods and results are discussed in detail.
@article{arxiv.2205.08686,
title = {Dielectric constant of gray Tin: A first-principles study},
author = {Jinsong Duan},
journal= {arXiv preprint arXiv:2205.08686},
year = {2022}
}
Comments
My previous management did not to publish this article in arXiv.org. I have obligation to withdraw it from arXiv.org. arXiv admin note: author list truncated