Effect of Pressure on the Electronic Band Structure and Circular Photocurrent in Tellurium

A six-band kp -model is developed for describing the band structure of tellurium. In the framework of the effective Hamiltonian and the density functional theory (DFT), the effect of hydrostatic deformation on the band structure is analyzed. The parameterization of the kp Hamiltonian is determined....

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Bibliographic Details
Published in:Journal of experimental and theoretical physics 2022-10, Vol.135 (4), p.575-587
Main Authors: Glazov, M. M., Ivchenko, E. L., Nestoklon, M. O.
Format: Article
Language:English
Subjects:
Absorption spectra
Analysis
Band structure of solids
Classical and Quantum Gravitation
Deformation effects
Density functional theory
Density functionals
Elementary Particles
Parameterization
Particle and Nuclear Physics
Photoelectric effect
Photoelectric emission
Physics
Physics and Astronomy
Pressure effects
Quantum Field Theory
Relativity Theory
Solid State Physics
Tellurium
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Summary:A six-band kp -model is developed for describing the band structure of tellurium. In the framework of the effective Hamiltonian and the density functional theory (DFT), the effect of hydrostatic deformation on the band structure is analyzed. The parameterization of the kp Hamiltonian is determined. In the kp method, the band transformation upon the gap closing is traced. It is shown that in the DFT approach with a nonlocal hybrid exchange-correlation functional based on the PBE functional, at pressures p 4 GPa, the gap in the tellurium spectrum does not close. The interband optical absorption spectra and the circular photocurrent are calculated for direct interband transitions in deformed tellurium.
ISSN:1063-7761
1090-6509
DOI:10.1134/S1063776122100053