Title

AB-INITIO CALCULATION OF TWO-PHOTON ABSORPTION FOR SEMICONDUCTORS

Author

ALAN BERNAL

Contributor

Bernardo Mendoza (Thesis Adviser)

Access level

Open Access

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

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

Downloads

1177

Comments



You need to sign in or sign up to comment.