Efficient calculation of excitonic effects in solids including approximated quasiparticle energies
- 1. Group of Semiconductor Materials and Nanotechnology (GMSN), Technological Institute of Aeronautics (ITA), 12228-900 São José dos Campos/SP, Brazil 1 (Brazil)
Description
In this work we present a new procedure to compute optical spectra including excitonic effects and approximated quasiparticle corrections with reduced computational effort. The excitonic effects on optical spectra are included by solving the Bethe–Salpeter equation, considering quasiparticle eigenenergies and respective wavefunctions obtained within DFT-1/2 method. The electron–hole ladder diagrams are approximated by the screened exchange. To prove the capability of the procedure, we compare the calculated imaginary part of the dielectric functions of Si, Ge, GaAs, GaP, GaSb, InAs, InP, and InSb with experimental data. The energy position of the absorption peaks are correctly described. The good agreement with experimental results together with the very significant reduction of computational effort makes the procedure suitable on the investigation of optical spectra of more complex systems. (paper)
Availability note (English)
Available from http://dx.doi.org/10.1088/1361-648X/ab9912Additional details
Identifiers
Publishing Information
- Journal Title
- Journal of Physics. Condensed Matter
- Journal Volume
- 32
- Journal Issue
- 40
- Journal Page Range
- [6 p.]
- ISSN
- 0953-8984
- CODEN
- JCOMEL
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 52063132
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Resource subtype / Literary indicator
- Numerical Data
- Descriptors DEI
- APPROXIMATIONS; BETHE-SALPETER EQUATION; ELECTRON-HOLE COUPLING; EXPERIMENTAL DATA; GALLIUM ANTIMONIDES; GALLIUM ARSENIDES; GALLIUM PHOSPHIDES; GERMANIUM; INDIUM ANTIMONIDES; INDIUM ARSENIDES; INDIUM PHOSPHIDES; QUASI PARTICLES; SILICON; SOLIDS; WAVE FUNCTIONS
- Descriptors DEC
- ANTIMONIDES; ANTIMONY COMPOUNDS; ARSENIC COMPOUNDS; ARSENIDES; CALCULATION METHODS; COUPLING; DATA; ELEMENTS; EQUATIONS; FUNCTIONS; GALLIUM COMPOUNDS; INDIUM COMPOUNDS; INFORMATION; METALS; NUMERICAL DATA; PHOSPHIDES; PHOSPHORUS COMPOUNDS; PNICTIDES; SEMIMETALS