Title
AB-INITIO CALCULATION OF TWO-PHOTON ABSORPTION FOR SEMICONDUCTORS
Author
ALAN BERNAL
Contributor
Bernardo Mendoza (Thesis Adviser)
Access level
Open Access
Subjects
Summary or description
"A theoretical derivation of two-photon absorption (2PA) from bulk, surface and 2 dimensional (2D) semiconductors, based on the length gauge analysis and the electron density operator, is formulated; the intraband r_i part and the interband r_e part of the position operator r are properly accounted for. Within the independent particle approximation, the nonlinear third order susceptibility tensor χ abcd (−ω; −ω, −ω, ω) and the two-photon absorption coefficient are calculated, including the scissors correction needed to correct the well-known underestimation of the local-density-approximation band gap. Using time-reversal symmetry, it is shown that the expression for χ abcd (−ω; −ω, −ω, ω) is finite at ω = 0, avoiding nonphysical divergences presented in previous calculations when ω → 0. Ab initio band structure calculations using different pseudopotential schemes that include spin-orbit coupling are used to calculate the 2PA for several semiconductors, and the calculations are compared with available experimental results for photon energies that are below the optical band gap."
Publish date
December, 2022
Publication type
Doctoral thesis
Publication version
Accepted Version
Information Resource
Format
application/pdf
Language
English
Coverage
León, Guanajuato
Audience
Librarians
Students
Researchers
General public
Citation suggestion
Bernal-Ramírez, (2022). "Ab-initio calculation of two-photon absorption for semiconductors". Tesis de Doctorado en Ciencias (Óptica). Centro de Investigaciones en Óptica, A.C. León, Guanajuato, México. 73 pp.
Source repository
REPOSITORIO INSTITUCIONAL DEL CIO
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